UCSF

ZINC43411494

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.37 4 -54.1 2 4 0 60 202.298 7
Hi High (pH 8-9.5) 0.37 4.86 -56.02 2 4 0 57 202.298 7
Mid Mid (pH 6-8) 0.37 6.11 -111.92 3 4 1 61 203.306 7

Activity (Go SEA)

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