UCSF

ZINC36164329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.56 2.96 -9.86 1 5 0 62 216.244 3
Lo Low (pH 4.5-6) -0.56 3.48 -33.65 2 5 1 63 217.252 3

Activity (Go SEA)

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