UCSF

ZINC34002957

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 19 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) 1.57 5.57 -50.16 3 4 1 55 258.345 3
Mid Mid (pH 6-8) 1.57 5.99 -100.24 4 4 2 56 259.353 3

Activity (Go SEA)

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