UCSF

ZINC36987082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 1.72 5.47 -108.73 5 3 2 56 225.311 5
Mid Mid (pH 6-8) -1.57 5.78 -33.27 5 3 1 56 224.303 5

Activity (Go SEA)

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