UCSF

ZINC09715580

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 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) 4.33 10.27 -48.48 3 6 1 80 452.6 8
Hi High (pH 8-9.5) 4.33 7.34 -45.06 1 6 -1 81 450.584 8
Mid Mid (pH 6-8) 4.33 7.48 -10.78 2 6 0 79 451.592 8
Mid Mid (pH 6-8) 4.33 9.84 -65.31 2 6 0 82 451.592 8

Activity (Go SEA)

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