UCSF

ZINC76945332

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 35 No

Popular Name: (1R,2R,4aR,6aR,6aR,6bS,8aS,9R,10R,11S,12aS,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-h (1R,2R,4aR,6aR,6aR,6bS,8aS,9R,10…

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CAS Number: 464-92-6

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 6.81 -55.19 3 5 -1 101 487.701 2 ↓
Lo Low (pH 4.5-6) 4.70 5.02 -8.85 4 5 0 98 488.709 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.