UCSF

ZINC39914510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 6.15 10.99 -10.68 2 6 0 78 471.944 6
Mid Mid (pH 6-8) 6.15 11.76 -48.37 1 6 -1 81 470.936 6

Activity (Go SEA)

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