UCSF

ZINC22759029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.91 9.49 -37.32 0 6 -1 79 454.334 4
Mid Mid (pH 6-8) 4.91 9.42 -18.7 1 6 0 77 455.342 4

Activity (Go SEA)

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