UCSF

ZINC48617421

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 16 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) 2.44 4.92 -35.79 2 3 1 34 239.261 7
Hi High (pH 8-9.5) 2.44 2.97 -6.04 1 3 0 32 238.253 7

Activity (Go SEA)

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