UCSF

ZINC01876753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.66 4.8 -14.38 3 8 0 113 402.476 5
Lo Low (pH 4.5-6) 1.66 4.75 -51.39 4 8 1 114 403.484 5

Activity (Go SEA)

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