UCSF

ZINC69489484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 1.60 6.22 -35.53 1 3 1 21 248.394 4
Lo Low (pH 4.5-6) 1.60 8.69 -104.45 2 3 2 22 249.402 4

Activity (Go SEA)

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