UCSF

ZINC36878499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.78 8.76 -51.52 0 4 -1 60 258.297 2
Lo Low (pH 4.5-6) 1.78 6.69 -13.68 1 4 0 58 259.305 2

Activity (Go SEA)

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