UCSF

ZINC43894958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.69 10.4 -116.12 3 2 2 21 262.441 7
Mid Mid (pH 6-8) 3.69 10.39 -31.93 2 2 1 16 261.433 7
Mid Mid (pH 6-8) 3.69 8.38 -32.56 2 2 1 20 261.433 7

Activity (Go SEA)

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