UCSF

ZINC34421796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 18 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) 0.30 4.63 -39.97 1 5 1 47 250.322 4
Hi High (pH 8-9.5) 0.30 2.25 -6.46 0 5 0 46 249.314 4

Activity (Go SEA)

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