UCSF

ZINC36876748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.67 6.57 -52.12 4 6 1 102 275.332 7
Mid Mid (pH 6-8) 1.67 7.02 -99.9 5 6 2 103 276.34 7

Activity (Go SEA)

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