UCSF

ZINC20247762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) -0.71 1.89 -105.26 3 6 2 62 264.395 3
Hi High (pH 8-9.5) -0.71 -1.76 -7.65 1 6 0 56 262.379 3
Mid Mid (pH 6-8) -0.71 -0.38 -51.23 2 6 1 60 263.387 3
Mid Mid (pH 6-8) -0.71 0.46 -44.6 2 6 1 57 263.387 3

Activity (Go SEA)

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