UCSF

ZINC42463622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.01 2.2 -119.74 4 4 2 45 243.395 4
Hi High (pH 8-9.5) 0.01 2.33 -34.69 3 4 1 43 242.387 4
Hi High (pH 8-9.5) 0.01 2.69 -103.56 4 4 2 45 243.395 4

Activity (Go SEA)

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