UCSF

ZINC36960219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.25 8.7 -46.43 2 3 1 54 255.341 4
Hi High (pH 8-9.5) 3.25 7.77 -7.25 1 3 0 49 254.333 4

Activity (Go SEA)

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