UCSF

ZINC34429163

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 18 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) 2.08 5.16 -5.53 2 4 0 62 251.326 6
Mid Mid (pH 6-8) 2.08 5.47 -42.9 3 4 1 63 252.334 6

Activity (Go SEA)

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