UCSF

ZINC36328040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 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) 2.66 5.97 -24.13 3 4 1 48 237.371 2
Hi High (pH 8-9.5) 2.66 5.85 -4.79 2 4 0 47 236.363 2

Activity (Go SEA)

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