UCSF

ZINC09338004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 22 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) 3.05 -0.36 -13.49 1 5 0 59 314.414 6
Mid Mid (pH 6-8) 3.05 -0.08 -44.99 2 5 1 61 315.422 6

Activity (Go SEA)

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