UCSF

ZINC25384122

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 24 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) 3.37 7.91 -10.85 1 3 0 32 358.532 5
Mid Mid (pH 6-8) 3.37 10.33 -40.05 2 3 1 34 359.54 5

Activity (Go SEA)

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