UCSF

ZINC38250351

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 34 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) 4.61 10.63 -17.58 1 5 0 51 466.528 8
Mid Mid (pH 6-8) 4.61 12.15 -56.05 2 5 1 52 467.536 8

Activity (Go SEA)

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