UCSF

ZINC42944695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 3.73 7.97 -42.25 3 2 1 31 281.851 3
Hi High (pH 8-9.5) 3.73 8.39 -34.15 3 2 1 30 281.851 3

Activity (Go SEA)

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