UCSF

ZINC21051313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 3.29 7.85 -34.72 2 3 1 29 308.515 5
Mid Mid (pH 6-8) 3.29 9.06 -108.39 3 3 2 34 309.523 5
Mid Mid (pH 6-8) 3.29 6.92 -34.14 2 3 1 33 308.515 5

Activity (Go SEA)

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