UCSF

ZINC37172839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.78 4.49 -98.86 4 3 2 41 218.385 8
Hi High (pH 8-9.5) 1.78 5.03 -39.89 3 3 1 44 217.377 8
Hi High (pH 8-9.5) 1.78 3.28 -33.71 3 3 1 37 217.377 8

Activity (Go SEA)

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