UCSF

ZINC09322887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 20 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) 3.17 7.87 -9.25 1 3 0 32 268.36 4
Mid Mid (pH 6-8) 3.23 6.61 -30.05 2 3 1 37 269.368 4

Activity (Go SEA)

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