UCSF

ZINC12219230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 36 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) 1.09 -0.17 -74.49 2 10 1 101 496.588 10
Mid Mid (pH 6-8) 1.09 0.11 -121.01 3 10 2 102 497.596 10

Activity (Go SEA)

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