UCSF

ZINC05851006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 2.58 9.68 -50.94 1 6 1 59 347.398 1
Mid Mid (pH 6-8) 2.58 7.34 -12.51 0 6 0 58 346.39 1

Activity (Go SEA)

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