UCSF

ZINC00531662

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 2.79 10.65 -10.65 3 6 0 78 321.384 3
Lo Low (pH 4.5-6) 2.79 11.15 -32.33 4 6 1 79 322.392 3

Activity (Go SEA)

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