UCSF

ZINC62742485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.27 4.83 -32.47 2 4 0 56 283.173 4
Mid Mid (pH 6-8) 2.27 5.32 -46.77 3 4 1 58 284.181 4

Activity (Go SEA)

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