UCSF

ZINC34473578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 0.45 2.21 -35.8 3 4 0 77 181.191 3
Mid Mid (pH 6-8) 0.45 1.09 -44.75 2 4 -1 72 180.183 3

Activity (Go SEA)

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