UCSF

ZINC49453929

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 0.31 6.38 -67.23 0 5 -1 71 230.199 1
Mid Mid (pH 6-8) 0.31 5.56 -27.58 1 5 0 75 231.207 1

Activity (Go SEA)

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