UCSF

ZINC12541237

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 19 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) 2.53 5.63 -11.74 1 4 0 47 254.289 4
Mid Mid (pH 6-8) 2.53 6.07 -31.03 2 4 1 48 255.297 4

Activity (Go SEA)

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