UCSF

ZINC36721516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 15 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) 1.72 3.11 -9.02 1 4 0 49 299.234 5
Hi High (pH 8-9.5) 1.72 2.76 -38.69 0 4 -1 51 298.226 5

Activity (Go SEA)

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