UCSF

ZINC38205672

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 23 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) 3.90 7.3 -9.68 2 5 0 71 350.205 4
Hi High (pH 8-9.5) 4.08 6.55 -48.1 1 5 -1 77 349.197 4

Activity (Go SEA)

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