UCSF

ZINC21794105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 3.44 8.24 -42.13 3 8 1 90 392.439 5
Mid Mid (pH 6-8) 3.44 8.17 -38.8 3 8 1 90 392.439 5
Mid Mid (pH 6-8) 3.44 7.9 -19.47 2 8 0 89 391.431 5

Activity (Go SEA)

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