UCSF

ZINC34393732

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 32 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) 4.39 9.17 -10.89 2 7 0 90 453.905 7
Mid Mid (pH 6-8) 4.39 9.96 -9.18 2 7 0 90 453.905 7

Activity (Go SEA)

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