UCSF

ZINC36779543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.49 5.39 -30.74 4 3 1 52 232.282 4
Mid Mid (pH 6-8) 2.49 4.92 -6.65 3 3 0 51 231.274 4

Activity (Go SEA)

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