UCSF

ZINC29568316

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 3.85 7.68 -6.63 0 2 0 16 265.154 1
Mid Mid (pH 6-8) 3.85 8.03 -26.81 1 2 1 17 266.162 1

Activity (Go SEA)

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