UCSF

ZINC24102833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 24 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) 5.19 7.75 -17.08 2 4 0 62 336.416 4
Mid Mid (pH 6-8) 5.19 7.28 -47.61 1 4 -1 64 335.408 4

Activity (Go SEA)

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