UCSF

ZINC21813869

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 1.47 1.53 -38.99 3 6 -1 99 299.282 4
Mid Mid (pH 6-8) 1.47 2.02 -36.68 4 6 0 100 300.29 4
Mid Mid (pH 6-8) 1.47 1.46 -13.06 4 6 0 97 300.29 4

Activity (Go SEA)

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