UCSF

ZINC12618410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 16 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) 1.33 9.35 -39.46 1 4 1 35 217.296 2
Mid Mid (pH 6-8) 1.33 9.8 -95.9 2 4 2 36 218.304 2

Activity (Go SEA)

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