UCSF

ZINC36829062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 0.56 0.51 -13.95 1 6 0 79 272.326 3
Hi High (pH 8-9.5) 1.01 -1.56 -45.67 0 6 -1 83 271.318 3

Activity (Go SEA)

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