UCSF

ZINC49024150

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 1.23 4.35 -49.97 3 6 1 86 275.332 6
Hi High (pH 8-9.5) 1.23 2.36 -20.72 2 6 0 85 274.324 6

Activity (Go SEA)

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