UCSF

ZINC21001517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 3.05 6.35 -22.46 2 7 0 101 402.501 6
Hi High (pH 8-9.5) 3.11 5.45 -51.54 1 7 -1 107 401.493 6
Hi High (pH 8-9.5) 3.11 5.52 -99.43 0 7 -2 109 400.485 6
Mid Mid (pH 6-8) 3.05 6.43 -48.59 1 7 -1 103 401.493 6

Activity (Go SEA)

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