UCSF

ZINC00572712

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 4.56 10.49 -9.95 0 3 0 27 280.371 5
Lo Low (pH 4.5-6) 4.56 11.16 -26.93 1 3 1 28 281.379 5

Activity (Go SEA)

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