UCSF

ZINC05691052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 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) 6.65 13.19 -7.64 1 2 0 29 389.296 3
Mid Mid (pH 6-8) 6.65 13.58 -29.96 2 2 1 30 390.304 3

Activity (Go SEA)

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