UCSF

ZINC39375872

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 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) -1.15 2.43 -38.82 4 3 1 52 195.286 6
Hi High (pH 8-9.5) -1.15 1.42 -39.83 4 3 1 49 195.286 6
Hi High (pH 8-9.5) -1.15 1.02 -2.84 3 3 0 47 194.278 6
Mid Mid (pH 6-8) -1.15 2.78 -126.52 5 3 2 53 196.294 6

Activity (Go SEA)

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