UCSF

ZINC39881603

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 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) 3.23 13.14 -74.83 3 7 2 75 429.524 7
Hi High (pH 8-9.5) 3.23 12.49 -20.88 1 7 0 72 427.508 7
Mid Mid (pH 6-8) 3.23 12.63 -37.99 2 7 1 74 428.516 7
Mid Mid (pH 6-8) 3.23 13.01 -45.44 2 7 1 74 428.516 7

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