UCSF

ZINC44253160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -1.37 0.27 -41.77 6 4 1 87 204.253 3
Hi High (pH 8-9.5) -1.37 -0.1 -10.86 5 4 0 85 203.245 3

Activity (Go SEA)

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