UCSF

ZINC42451588

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -2.06 6.4 -111.26 1 8 -2 136 269.257 8
Lo Low (pH 4.5-6) -2.06 4.43 -57.78 2 8 -1 134 270.265 8

Activity (Go SEA)

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