UCSF

ZINC36747351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 12 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) -1.27 -2.39 -45.62 5 5 1 89 174.224 6
Hi High (pH 8-9.5) -1.27 -3.74 -11.63 4 5 0 84 173.216 6

Activity (Go SEA)

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