UCSF

ZINC42253290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 11 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) 2.54 6.63 -29.54 1 1 1 4 154.277 3
Mid Mid (pH 6-8) 2.54 4.93 -1.81 0 1 0 3 153.269 3

Activity (Go SEA)

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