UCSF

ZINC21014386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.89 9.22 -75.9 1 3 0 45 273.357 3
Mid Mid (pH 6-8) 2.89 7.01 -55.99 0 3 -1 43 272.349 3

Activity (Go SEA)

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