UCSF

ZINC49330742

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 14 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) -0.10 3.87 -79.11 3 4 2 39 198.314 6
Hi High (pH 8-9.5) -0.10 3.4 -44.5 2 4 1 38 197.306 6
Lo Low (pH 4.5-6) -0.10 6.17 -183.88 4 4 3 40 199.322 6

Activity (Go SEA)

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