UCSF

ZINC43122611

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 26 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) 4.83 9.34 -10.22 2 5 0 59 416.319 4
Mid Mid (pH 6-8) 4.83 9.74 -27.09 3 5 1 60 417.327 4

Activity (Go SEA)

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