UCSF

ZINC23318995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 22 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 5.67 -20.94 2 5 0 67 315.76 4
Mid Mid (pH 6-8) 2.92 6.1 -40.31 3 5 1 68 316.768 4
Mid Mid (pH 6-8) 2.92 6.33 -53.05 1 5 -1 69 314.752 4

Activity (Go SEA)

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