UCSF

ZINC49329642

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) -0.71 2.86 -86.73 4 4 2 50 198.314 6
Hi High (pH 8-9.5) -0.71 2.38 -51.73 3 4 1 49 197.306 6
Lo Low (pH 4.5-6) -0.71 5 -189.96 5 4 3 51 199.322 6

Activity (Go SEA)

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