UCSF

ZINC61703655

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 21 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) 2.69 7.65 -55.08 3 2 1 37 296.312 6
Hi High (pH 8-9.5) 2.69 7.3 -4.4 2 2 0 35 295.304 6

Activity (Go SEA)

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