UCSF

ZINC43424667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.60 2.72 -112.42 4 4 2 45 267.417 2
Hi High (pH 8-9.5) 0.60 2.63 -36.84 3 4 1 43 266.409 2
Hi High (pH 8-9.5) 0.60 0.33 -44.17 3 4 1 43 266.409 2

Activity (Go SEA)

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