UCSF

ZINC44679519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.78 6.17 -33.03 3 3 1 28 272.416 4
Lo Low (pH 4.5-6) 1.78 7.35 -115.62 4 3 2 33 273.424 4

Activity (Go SEA)

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