UCSF

ZINC40184389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 2.84 10.69 -23.67 1 7 0 80 433.556 8
Mid Mid (pH 6-8) 2.84 11.1 -41.31 2 7 1 81 434.564 8

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