UCSF

ZINC36950538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 1.97 4.61 -97.88 4 3 2 41 218.385 9
Hi High (pH 8-9.5) 1.97 5.15 -38.5 3 3 1 44 217.377 9
Hi High (pH 8-9.5) 1.97 3.36 -33.02 3 3 1 37 217.377 9

Activity (Go SEA)

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