UCSF

ZINC08134292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 22 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) 1.55 5.53 -12.23 1 5 0 60 300.358 7
Lo Low (pH 4.5-6) 1.55 5.99 -42.22 2 5 1 62 301.366 7
Lo Low (pH 4.5-6) 1.74 3.34 -42.76 2 5 1 65 301.366 7

Activity (Go SEA)

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