UCSF

ZINC43395511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.11 5.46 -7.77 1 4 0 52 298.312 5
Mid Mid (pH 6-8) 2.11 7.88 -43.43 2 4 1 53 299.32 5

Activity (Go SEA)

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