UCSF

ZINC33926138

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 24 No

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) 2.61 2.14 -45.77 1 6 -1 95 386.181 2
Hi High (pH 8-9.5) 2.61 2.92 -96.07 0 6 -2 98 385.173 2
Lo Low (pH 4.5-6) 2.15 4.8 -10.84 2 6 0 92 387.189 2

Activity (Go SEA)

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