UCSF

ZINC39280973

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 0.11 0.97 -48.17 4 3 1 57 181.19 0
Hi High (pH 8-9.5) 0.11 0.66 -6.82 3 3 0 55 180.182 0

Activity (Go SEA)

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