UCSF

ZINC36766095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 3.63 6.98 -5.27 3 3 0 55 292.18 2
Lo Low (pH 4.5-6) 3.63 7.08 -29.37 4 3 1 56 293.188 2

Activity (Go SEA)

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