UCSF

ZINC43428118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.45 2.85 -37.71 2 4 1 38 255.382 3
Hi High (pH 8-9.5) 1.45 2.02 -3.16 1 4 0 34 254.374 3
Mid Mid (pH 6-8) 1.45 4.32 -33.27 2 4 1 35 255.382 3
Mid Mid (pH 6-8) 1.45 5.03 -117.42 3 4 2 40 256.39 3

Activity (Go SEA)

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