UCSF

ZINC35784079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 19 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 0.79 -3.83 2 5 0 57 270.373 1
Lo Low (pH 4.5-6) 0.28 2.88 -120.77 4 5 2 60 272.389 1
Lo Low (pH 4.5-6) 0.28 2.63 -32.3 3 5 1 58 271.381 1

Activity (Go SEA)

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