UCSF

ZINC34482311

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 2.06 6 -55.59 1 4 -1 65 218.232 4
Lo Low (pH 4.5-6) 2.06 4.02 -9.9 2 4 0 62 219.24 4

Activity (Go SEA)

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