UCSF

ZINC44539838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 15 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) -0.18 2.36 -45.47 3 4 1 49 209.317 3
Hi High (pH 8-9.5) -0.18 3.75 -32.54 3 4 1 48 209.317 3
Lo Low (pH 4.5-6) -0.18 4.25 -121.59 4 4 2 50 210.325 3

Activity (Go SEA)

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