UCSF

ZINC37026921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.65 1.48 -53.11 4 5 1 73 209.273 4
Mid Mid (pH 6-8) -0.65 2.02 -88.06 5 5 2 74 210.281 4

Activity (Go SEA)

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