UCSF

ZINC41650804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.55 8.26 -44.62 2 4 1 52 341.225 9
Hi High (pH 8-9.5) 2.55 6.89 -9.15 1 4 0 48 340.217 9

Activity (Go SEA)

Rings

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