UCSF

ZINC27724927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 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) 4.22 10.84 -48.7 2 5 1 46 394.539 7
Mid Mid (pH 6-8) 4.22 8.53 -9.44 1 5 0 45 393.531 7

Activity (Go SEA)

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