UCSF

ZINC38002157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.59 6.72 -33.51 2 2 1 26 305.261 4
Hi High (pH 8-9.5) 3.59 5.79 -2.01 1 2 0 21 304.253 4

Activity (Go SEA)

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