UCSF

ZINC19900938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.10 6.56 -35.55 2 2 1 20 271.375 7
Hi High (pH 8-9.5) 3.10 5.14 -3.18 1 2 0 15 270.367 7
Mid Mid (pH 6-8) 3.10 7.21 -29.5 2 2 1 16 271.375 7
Mid Mid (pH 6-8) 3.10 8.54 -104.56 3 2 2 21 272.383 7

Activity (Go SEA)

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