UCSF

ZINC71149834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 20 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) 1.13 3.89 -44.83 3 5 1 52 281.355 4
Hi High (pH 8-9.5) 1.13 2.53 -8.75 2 5 0 48 280.347 4

Activity (Go SEA)

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