UCSF

ZINC40176735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.74 3.63 -12.02 2 7 0 96 431.297 4
Hi High (pH 8-9.5) 3.74 4.64 -46.89 1 7 -1 99 430.289 4

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