UCSF

ZINC42420564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 19 No

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) -1.44 3.94 -95.1 4 6 2 73 274.409 9
Hi High (pH 8-9.5) -1.44 2.01 -51.86 3 6 1 71 273.401 9

Activity (Go SEA)

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