UCSF

ZINC22726934

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.30 3.57 -15.89 1 6 0 79 334.397 5
Hi High (pH 8-9.5) 2.30 4.38 -58.79 0 6 -1 82 333.389 5
Lo Low (pH 4.5-6) 2.30 4.15 -39.03 2 6 1 81 335.405 5

Activity (Go SEA)

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