UCSF

ZINC42915449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 0.85 3.64 -127.81 6 4 2 75 281.375 5
Hi High (pH 8-9.5) 0.85 1.51 -57.7 5 4 1 74 280.367 5
Hi High (pH 8-9.5) 0.85 3.3 -41.37 5 4 1 74 280.367 5

Activity (Go SEA)

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