UCSF

ZINC42458966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.58 1.81 -43.32 3 3 1 40 221.324 4
Mid Mid (pH 6-8) -0.58 1.52 -3.77 2 3 0 38 220.316 4
Mid Mid (pH 6-8) -0.58 4.79 -117.29 4 3 2 41 222.332 4

Activity (Go SEA)

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