UCSF

ZINC43425672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.36 3.86 -33.79 4 4 1 64 274.388 3
Mid Mid (pH 6-8) 1.36 6.08 -86.28 5 4 2 65 275.396 3

Activity (Go SEA)

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