UCSF

ZINC27899780

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) -0.28 1.2 -63.44 1 6 -1 94 273.268 3
Lo Low (pH 4.5-6) -0.28 1.64 -71.19 2 6 0 95 274.276 3

Activity (Go SEA)

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