UCSF

ZINC40905648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.88 4.12 -39.04 3 4 1 55 274.34 6
Hi High (pH 8-9.5) 2.88 4.94 -37.01 2 4 0 58 273.332 6
Hi High (pH 8-9.5) 2.88 2.71 -7.38 2 4 0 51 273.332 6

Activity (Go SEA)

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