UCSF

ZINC48784833

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

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) 0.92 3.33 -39.14 3 6 1 79 266.321 5
Hi High (pH 8-9.5) 0.92 2.11 -9.06 2 6 0 75 265.313 5

Activity (Go SEA)

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