UCSF

ZINC40557665

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 20 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) -1.27 6.97 -83.24 2 7 1 73 285.368 3
Mid Mid (pH 6-8) -1.27 4.84 -76.07 1 7 0 71 284.36 3
Mid Mid (pH 6-8) -1.27 4.76 -39.93 1 7 0 71 284.36 3
Mid Mid (pH 6-8) -1.27 2.62 -44.73 0 7 -1 70 283.352 3

Activity (Go SEA)

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