UCSF

ZINC41825244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 25 No

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) 1.30 3.88 -46.14 4 7 1 92 367.857 5
Mid Mid (pH 6-8) 1.30 1.7 -12.85 3 7 0 91 366.849 5

Activity (Go SEA)

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