UCSF

ZINC36874247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.80 7.03 -47.44 3 3 1 45 297.209 2
Lo Low (pH 4.5-6) 2.80 7.49 -97.05 4 3 2 47 298.217 2

Activity (Go SEA)

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