UCSF

ZINC52851257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 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) 2.98 9.85 -15.62 0 6 0 51 386.492 9
Lo Low (pH 4.5-6) 2.98 10.61 -28.73 1 6 0 52 387.5 9

Activity (Go SEA)

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