UCSF

ZINC37049900

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) 0.55 0.14 -47.38 4 4 1 60 251.35 4
Mid Mid (pH 6-8) 0.55 2.45 -90.73 5 4 2 62 252.358 4

Activity (Go SEA)

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