UCSF

ZINC40176311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) 2.56 4.79 -30.94 3 4 0 80 256.183 2
Mid Mid (pH 6-8) 2.56 4.41 -54.12 2 4 -1 79 255.175 2

Activity (Go SEA)

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