UCSF

ZINC37460266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) 0.99 2.04 -5.36 0 4 0 30 229.711 2
Mid Mid (pH 6-8) 0.99 4.29 -35.76 1 4 1 31 230.719 2

Activity (Go SEA)

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