UCSF

ZINC14952718

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 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) 1.51 1.57 -18.85 5 10 0 148 388.428 5
Lo Low (pH 4.5-6) 1.51 1.85 -33.78 6 10 1 150 389.436 5
Lo Low (pH 4.5-6) 1.51 -2.33 -29.58 6 10 1 150 389.436 5

Activity (Go SEA)

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