UCSF

ZINC09124455

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 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) 3.44 4.56 -12.22 3 7 0 99 427.888 6
Hi High (pH 8-9.5) 3.42 4.39 -53.93 1 7 -1 98 426.88 6
Hi High (pH 8-9.5) 3.42 4.36 -50.16 1 7 -1 98 426.88 6
Hi High (pH 8-9.5) 3.44 5.35 -47.4 2 7 -1 102 426.88 6
Mid Mid (pH 6-8) 3.45 5.32 -49.77 2 7 -1 102 426.88 6

Activity (Go SEA)

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