UCSF

ZINC42782709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.88 8.66 -52 1 5 -1 72 285.408 9
Lo Low (pH 4.5-6) 3.88 6.68 -14.11 2 5 0 70 286.416 9

Activity (Go SEA)

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