UCSF

ZINC61447451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 16 Yes

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) -2.48 7.4 -53.43 1 6 0 80 223.232 4
Mid Mid (pH 6-8) -2.48 6.88 -46.2 0 6 -1 78 222.224 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.