UCSF

ZINC43901910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.20 8.09 -43.88 2 3 1 29 282.411 5
Mid Mid (pH 6-8) 2.20 6.69 -42.64 2 3 1 33 282.411 5
Mid Mid (pH 6-8) 2.20 8.98 -130.61 3 3 2 34 283.419 5

Activity (Go SEA)

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