UCSF

ZINC43437902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) -1.72 5.13 -110.2 2 9 -2 148 302.283 9
Lo Low (pH 4.5-6) -1.72 3.17 -55.7 3 9 -1 145 303.291 9

Activity (Go SEA)

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