UCSF

ZINC21817687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.63 11.08 -109.26 3 2 2 21 296.524 6
Mid Mid (pH 6-8) 3.63 9.8 -33.19 2 2 1 16 295.516 6
Mid Mid (pH 6-8) 3.63 8.88 -40.95 2 2 1 20 295.516 6

Activity (Go SEA)

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