UCSF

ZINC51971070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 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) 2.34 3.44 -8.44 1 4 0 60 206.197 2
Hi High (pH 8-9.5) 2.34 4.21 -44.61 0 4 -1 63 205.189 2

Activity (Go SEA)

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