UCSF

ZINC41665516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.14 6.13 -16.14 0 8 0 74 466.534 7
Mid Mid (pH 6-8) 3.14 8.4 -51.32 1 8 1 75 467.542 7
Mid Mid (pH 6-8) 3.14 8.96 -52.41 1 8 1 75 467.542 7
Lo Low (pH 4.5-6) 3.14 11.26 -123.84 2 8 2 76 468.55 7

Activity (Go SEA)

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