UCSF

ZINC34549574

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 3.53 13.71 -42.16 2 8 1 87 444.6 11
Mid Mid (pH 6-8) 3.53 11.95 -13.72 1 8 0 85 443.592 11

Activity (Go SEA)

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