UCSF

ZINC26511422

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.48 4.64 -12.44 3 5 0 73 261.325 5
Mid Mid (pH 6-8) 2.48 4.76 -36.48 4 5 1 74 262.333 5

Activity (Go SEA)

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