UCSF

ZINC37851520

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.79 -0.33 -36.89 4 4 1 66 220.333 9
Hi High (pH 8-9.5) 0.79 -1.68 -6.15 3 4 0 62 219.325 9

Activity (Go SEA)

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