UCSF

ZINC19428624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 No

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) -0.30 2.38 -47.73 2 4 1 37 216.33 1
Mid Mid (pH 6-8) -0.30 3.55 -98.28 3 4 2 41 217.338 1
Mid Mid (pH 6-8) -0.30 -0.11 -8.51 1 4 0 36 215.322 1

Activity (Go SEA)

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