UCSF

ZINC22780302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 3.07 7.31 -37.47 2 5 1 44 357.474 8
Mid Mid (pH 6-8) 3.07 6.08 -35.1 2 5 1 48 357.474 8
Lo Low (pH 4.5-6) 3.07 8.54 -111.9 3 5 2 49 358.482 8

Activity (Go SEA)

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