UCSF

ZINC34560377

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 1.56 9.9 -48.91 0 3 -1 49 281.331 3
Lo Low (pH 4.5-6) 1.56 7.92 -8 1 3 0 47 282.339 3

Activity (Go SEA)

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