UCSF

ZINC34660701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 No

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) 1.28 4.17 -45.62 4 6 1 84 300.766 5
Hi High (pH 8-9.5) 1.28 2.73 -20.9 3 6 0 79 299.758 5

Activity (Go SEA)

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