UCSF

ZINC20044658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 1.59 4.48 -42.45 2 3 1 35 210.297 7
Hi High (pH 8-9.5) 1.59 3.07 -4.14 1 3 0 30 209.289 7

Activity (Go SEA)

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