UCSF

ZINC20598124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 19 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) 3.19 9.65 -38.41 1 4 1 33 261.393 5
Mid Mid (pH 6-8) 3.19 7.35 -5.96 0 4 0 32 260.385 5

Activity (Go SEA)

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