UCSF

ZINC43262737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.29 2.6 -118.23 5 3 2 52 307.257 6
Hi High (pH 8-9.5) 1.29 3.71 -27.9 4 3 1 51 306.249 6
Hi High (pH 8-9.5) 1.29 1.08 -2.46 3 3 0 49 305.241 6
Mid Mid (pH 6-8) 1.29 0.76 -45.14 4 3 1 51 306.249 6

Activity (Go SEA)

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