UCSF

ZINC43253874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.67 4.47 -55.15 3 3 1 55 272.825 6
Hi High (pH 8-9.5) 1.67 5.02 -6.11 2 3 0 53 271.817 6

Activity (Go SEA)

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