UCSF

ZINC00646468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 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) 3.25 8.39 -11.97 2 9 0 103 410.821 3
Ref Reference (pH 7) 3.43 8.49 -45.38 3 9 1 108 411.829 3
Lo Low (pH 4.5-6) 3.43 8.72 -38.82 3 9 1 108 411.829 3

Activity (Go SEA)

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