UCSF

ZINC37126655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.92 4.12 -11.38 2 4 0 53 319.232 6
Mid Mid (pH 6-8) 2.92 4.87 -44.79 1 4 -1 55 318.224 6
Mid Mid (pH 6-8) 2.92 6.04 -32.1 2 4 0 60 319.232 6

Activity (Go SEA)

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