UCSF

ZINC37076328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.85 8.88 -32.38 2 3 1 43 270.418 10
Mid Mid (pH 6-8) 3.85 7.9 -4.66 1 3 0 38 269.41 10

Activity (Go SEA)

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