UCSF

ZINC09245005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 23 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) 4.75 0.4 -9.35 1 3 0 46 343.37 4
Hi High (pH 8-9.5) 4.75 0.9 -43.1 0 3 -1 48 342.362 4

Activity (Go SEA)

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