UCSF

ZINC60248188

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.58 2.27 -2.43 0 2 0 12 155.241 0
Mid Mid (pH 6-8) 1.58 4.64 -32.53 1 2 1 14 156.249 0

Activity (Go SEA)

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