UCSF

ZINC24427959

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 21 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) 3.93 6.06 -17.95 1 4 0 55 318.423 5
Mid Mid (pH 6-8) 3.93 6.54 -10.25 1 4 0 55 318.423 5
Mid Mid (pH 6-8) 4.38 4.82 -47.87 0 4 -1 58 317.415 5

Activity (Go SEA)

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