UCSF

ZINC43814386

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 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) 4.24 8.9 -29.95 2 2 1 16 275.46 6
Mid Mid (pH 6-8) 4.24 10.57 -32.85 2 2 1 20 275.46 6
Mid Mid (pH 6-8) 4.24 11.08 -110.03 3 2 2 21 276.468 6

Activity (Go SEA)

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