UCSF

ZINC62964421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.36 5.02 -88.07 4 3 2 35 249.402 5
Hi High (pH 8-9.5) 1.36 2.6 -44.48 3 3 1 34 248.394 5
Lo Low (pH 4.5-6) 1.36 7.26 -193.79 5 3 3 37 250.41 5

Activity (Go SEA)

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