UCSF

ZINC12876068

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 31 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) 4.05 9 -17.45 1 6 0 67 455.967 7
Mid Mid (pH 6-8) 4.05 11.3 -62.36 2 6 1 69 456.975 7

Activity (Go SEA)

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