UCSF

ZINC03977871

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 34 No

Popular Name: CC1([C@@H]2CC[C@@]3([C@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C)C(=O)O)C)C CC1([C@@H]2CC[C@@]3([C@H]([C@]2(…

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Annotations

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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) 5.62 11.75 -60.85 1 4 -1 77 469.686 1 ↓
Lo Low (pH 4.5-6) 5.62 9.76 -12.43 2 4 0 75 470.694 1 ↓

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