UCSF

ZINC40420886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 3.58 8.09 -112.76 3 3 2 34 295.496 5
Mid Mid (pH 6-8) 3.58 6.32 -36.53 2 3 1 33 294.488 5
Mid Mid (pH 6-8) 3.58 6.8 -28.23 2 3 1 29 294.488 5

Activity (Go SEA)

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