UCSF

ZINC38573734

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 No

Popular Name: (5S,6R)-5-[(1R,9aS)-6-chloro-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-6-hydroxy-1,3-dimethyl- (5S,6R)-5-[(1R,9aS)-6-chloro-2,3…

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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) 2.13 5.04 -10.81 3 6 0 72 378.885 1 ↓
Lo Low (pH 4.5-6) 2.13 6.23 -44.71 4 6 1 76 379.893 1 ↓

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

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