UCSF

ZINC39881495

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.71 13.91 -78.67 2 5 2 42 402.542 3
Hi High (pH 8-9.5) 3.71 11.59 -13.19 0 5 0 40 400.526 3
Mid Mid (pH 6-8) 3.71 11.69 -30.8 1 5 1 41 401.534 3

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