UCSF

ZINC22888464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 33 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) 3.41 8.06 -13.29 0 7 0 72 442.519 6
Mid Mid (pH 6-8) 3.41 10.38 -58.65 1 7 1 73 443.527 6

Activity (Go SEA)

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