UCSF

ZINC45685357

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.37 3.35 -53.61 3 5 1 59 293.387 3
Hi High (pH 8-9.5) 0.37 2.71 -6.37 2 5 0 57 292.379 3
Lo Low (pH 4.5-6) 0.37 5.02 -144.85 4 5 2 60 294.395 3

Activity (Go SEA)

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