UCSF

ZINC83436422

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 18 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) 0.02 2.36 -11.33 2 4 0 67 246.262 3
Hi High (pH 8-9.5) 0.02 3.38 -58.93 1 4 -1 70 245.254 3
Hi High (pH 8-9.5) 0.02 3.2 -58.55 1 4 -1 70 245.254 3

Activity (Go SEA)

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

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