UCSF

ZINC20555713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 1.56 1.54 -39.33 3 6 -1 99 317.272 4
Mid Mid (pH 6-8) 1.56 2.03 -39.48 4 6 0 100 318.28 4
Mid Mid (pH 6-8) 1.56 1.49 -13.43 4 6 0 97 318.28 4

Activity (Go SEA)

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