UCSF

ZINC43395319

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) -1.04 4.96 -59.23 3 6 -1 108 276.316 4
Mid Mid (pH 6-8) -1.04 5.22 -36.78 4 6 0 109 277.324 4

Activity (Go SEA)

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