UCSF

ZINC45652774

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 4.30 7.86 -40.66 2 2 1 20 295.878 5
Hi High (pH 8-9.5) 4.30 9.64 -32.9 2 2 1 16 295.878 5
Hi High (pH 8-9.5) 4.30 7.25 -1.35 1 2 0 15 294.87 5

Activity (Go SEA)

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