UCSF

ZINC36769229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 1.32 2.44 -57.9 4 5 1 69 292.403 5
Lo Low (pH 4.5-6) 1.32 4.7 -110.41 5 5 2 70 293.411 5

Activity (Go SEA)

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