UCSF

ZINC34937169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 11 No

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) -0.05 0.09 -10.1 1 4 0 53 156.185 3
Mid Mid (pH 6-8) 0.45 -2.25 -7.18 2 4 0 58 156.185 3

Activity (Go SEA)

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