UCSF

ZINC62979708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 0.08 -0.01 -38.72 3 4 1 43 228.36 4
Mid Mid (pH 6-8) 0.08 2.2 -93.05 4 4 2 45 229.368 4
Mid Mid (pH 6-8) 0.08 1.8 -36.37 3 4 1 43 228.36 4
Mid Mid (pH 6-8) 0.08 2.12 -122.19 4 4 2 45 229.368 4

Activity (Go SEA)

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