UCSF

ZINC37331569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.84 9.03 -36.84 1 6 1 66 285.755 4
Mid Mid (pH 6-8) 2.84 6.83 -5.52 0 6 0 65 284.747 4

Activity (Go SEA)

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