UCSF

ZINC38540409

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 17 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) 1.58 7.38 -11.54 0 4 0 44 230.267 3
Mid Mid (pH 6-8) 1.58 7.85 -32.82 1 4 1 45 231.275 3

Activity (Go SEA)

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