UCSF

ZINC20750821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 2.99 6.32 -16.37 1 5 0 62 383.517 5
Lo Low (pH 4.5-6) 2.99 6.76 -38.9 2 5 1 64 384.525 5

Activity (Go SEA)

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