UCSF

ZINC21212654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 25 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) 2.42 8.26 -51.51 2 6 1 69 346.451 9
Hi High (pH 8-9.5) 2.42 5.95 -15.89 1 6 0 68 345.443 9

Activity (Go SEA)

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