UCSF

ZINC34469240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) 0.58 3.18 -72.9 1 4 -1 77 166.156 3
Mid Mid (pH 6-8) 0.58 2.02 -49.34 1 4 -1 73 166.156 3

Activity (Go SEA)

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