UCSF

ZINC02717034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 37 Yes

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) 3.98 12.64 -24.74 0 10 0 117 498.495 7
Mid Mid (pH 6-8) 0.07 14.38 -28.72 1 10 1 116 499.503 8

Activity (Go SEA)

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