UCSF

ZINC49474318

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 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) 1.25 1.2 -56.47 3 6 1 85 250.278 5
Hi High (pH 8-9.5) 1.25 0.79 -10.12 2 6 0 83 249.27 5

Activity (Go SEA)

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