UCSF

ZINC37038868

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) -0.64 4.8 -106.51 4 5 2 65 278.4 6
Mid Mid (pH 6-8) -0.64 2.6 -49.2 3 5 1 64 277.392 6

Activity (Go SEA)

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