UCSF

ZINC40691945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 1.75 3.07 -46.05 2 5 1 63 304.823 4
Hi High (pH 8-9.5) 1.75 2.99 -36.68 1 5 0 66 303.815 4

Activity (Go SEA)

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