UCSF

ZINC43261130

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) 1.87 3.4 -114.76 5 3 2 52 309.273 6
Hi High (pH 8-9.5) 1.87 1.34 -3.21 3 3 0 49 307.257 6
Hi High (pH 8-9.5) 1.87 1.63 -45.18 4 3 1 51 308.265 6
Mid Mid (pH 6-8) 1.87 3.08 -31.89 4 3 1 51 308.265 6

Activity (Go SEA)

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