UCSF

ZINC19789348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 33 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) 4.39 11.4 -48.59 1 6 1 45 449.571 9
Mid Mid (pH 6-8) 4.39 11.46 -51.49 1 6 1 45 449.571 9
Mid Mid (pH 6-8) 4.39 9.08 -10.62 0 6 0 43 448.563 9

Activity (Go SEA)

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