UCSF

ZINC33816986

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 2.76 5.9 -37.92 2 4 0 66 297.141 3
Hi High (pH 8-9.5) 2.76 5.44 -47.94 1 4 -1 65 296.133 3
Mid Mid (pH 6-8) 2.76 4.44 -9.76 2 4 0 62 297.141 3

Activity (Go SEA)

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