UCSF

ZINC38276545

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 14 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) 1.36 4.39 -44.99 2 3 1 33 212.704 1
Hi High (pH 8-9.5) 1.36 3.11 -3.75 1 3 0 28 211.696 1

Activity (Go SEA)

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