UCSF

ZINC45736359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 No

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) 0.77 3.23 -11.86 1 7 0 79 297.355 5
Lo Low (pH 4.5-6) 0.77 5.3 -35.33 2 7 1 80 298.363 5

Activity (Go SEA)

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