UCSF

ZINC37102852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.80 6.96 -5.04 1 3 0 38 320.252 7
Mid Mid (pH 6-8) 3.80 7.93 -42.08 2 3 1 43 321.26 7

Activity (Go SEA)

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