UCSF

ZINC47706489

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 18 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) 3.02 7.41 -37.74 1 3 1 23 315.231 5
Hi High (pH 8-9.5) 3.02 5.2 -4.44 0 3 0 22 314.223 5

Activity (Go SEA)

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