UCSF

ZINC00144052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 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) 2.88 8.59 -39.02 2 5 1 56 322.816 7
Hi High (pH 8-9.5) 2.88 6.13 -6.97 1 5 0 54 321.808 7
Lo Low (pH 4.5-6) 2.88 8.99 -80.78 3 5 2 57 323.824 7

Activity (Go SEA)

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