UCSF

ZINC02971877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 26 No

Download: MOL2 SDF SMILES Flexibase

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) 0.44 7.16 -22.5 2 7 0 87 374.466 7
Mid Mid (pH 6-8) 1.17 6.85 -51.37 1 7 -1 84 373.458 7

Activity (Go SEA)

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