UCSF

ZINC45821139

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 13 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) 0.65 4.18 -21.2 1 4 0 65 172.191 1
Mid Mid (pH 6-8) 0.65 3.73 -41.41 0 4 -1 64 171.183 1

Activity (Go SEA)

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