UCSF

ZINC43257948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.62 4.98 -10.29 1 5 0 56 284.315 4
Lo Low (pH 4.5-6) 3.62 5.4 -27.25 2 5 1 58 285.323 4

Activity (Go SEA)

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