UCSF

ZINC22742586

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) 2.78 6.48 -24.87 3 7 0 96 375.498 8
Hi High (pH 8-9.5) 2.84 5.59 -51.49 2 7 -1 102 374.49 8

Activity (Go SEA)

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