UCSF

ZINC45689203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 2.02 6.73 -37.06 3 3 1 34 222.356 6
Hi High (pH 8-9.5) 2.02 4.25 -2.77 2 3 0 32 221.348 6
Lo Low (pH 4.5-6) 2.02 6.58 -88.78 4 3 2 35 223.364 6

Activity (Go SEA)

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