UCSF

ZINC37005607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.16 4.28 -47.76 4 4 1 66 271.34 5
Mid Mid (pH 6-8) 0.16 3.96 -10.1 3 4 0 64 270.332 5

Activity (Go SEA)

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