UCSF

ZINC35387009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -0.44 4.89 -39.79 2 5 0 83 263.322 5
Hi High (pH 8-9.5) -0.44 3.65 -55.69 1 5 -1 78 262.314 5

Activity (Go SEA)

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