UCSF

ZINC19633804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 4.29 10.06 -30.49 1 2 1 8 336.286 4
Mid Mid (pH 6-8) 4.29 10 -34.53 1 2 1 8 336.286 4
Mid Mid (pH 6-8) 4.29 7.68 -3.75 0 2 0 6 335.278 4

Activity (Go SEA)

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