UCSF

ZINC00057498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 15 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) -2.37 5.25 -111.49 0 6 -2 101 213.189 4
Lo Low (pH 4.5-6) -2.37 3.28 -58.31 1 6 -1 98 214.197 4

Activity (Go SEA)

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