UCSF

ZINC12613910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 29 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) 1.55 8.89 -52.43 2 7 1 70 394.499 5
Mid Mid (pH 6-8) 1.55 6.42 -20.8 1 7 0 69 393.491 5

Activity (Go SEA)

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