UCSF

ZINC37374588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) -1.74 1.58 -31.8 2 5 0 68 216.281 5
Hi High (pH 8-9.5) -1.74 -0.7 -49.29 1 5 -1 67 215.273 5
Lo Low (pH 4.5-6) -1.74 1.67 -48.94 2 5 0 68 216.281 5

Activity (Go SEA)

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