UCSF

ZINC45695526

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 1.68 3.25 -48.78 3 4 1 55 272.34 9
Hi High (pH 8-9.5) 1.68 2.04 -6.97 2 4 0 51 271.332 9

Activity (Go SEA)

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