UCSF

ZINC23550080

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 22 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) 4.40 9.24 -48.14 2 3 1 35 320.84 7
Mid Mid (pH 6-8) 4.40 7.82 -5.92 1 3 0 30 319.832 7

Activity (Go SEA)

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