UCSF

ZINC37625869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 16 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) 2.69 2.47 -5.68 2 3 0 50 285.554 4
Mid Mid (pH 6-8) 2.69 2.83 -36.6 1 3 -1 53 284.546 4

Activity (Go SEA)

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