UCSF

ZINC01584936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) 1.68 7.82 -42.34 3 6 1 74 263.369 5
Lo Low (pH 4.5-6) 1.68 8.07 -97.44 4 6 2 75 264.377 5
Lo Low (pH 4.5-6) 1.68 3.66 -85.42 4 6 2 75 264.377 5

Activity (Go SEA)

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