UCSF

ZINC59836770

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 19 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) 1.68 5.8 -44.63 3 5 1 74 273.397 8
Mid Mid (pH 6-8) 1.68 5.36 -7.67 2 5 0 73 272.389 8

Activity (Go SEA)

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