UCSF

ZINC19594428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 No

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) 2.27 5.63 -46.98 0 6 -1 76 372.47 5
Mid Mid (pH 6-8) 2.27 7.92 -55.74 1 6 0 77 373.478 5

Activity (Go SEA)

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