UCSF

ZINC37850982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.10 0.88 -44.8 3 5 1 59 273.397 10
Hi High (pH 8-9.5) 0.10 -0.51 -6.05 2 5 0 54 272.389 10
Lo Low (pH 4.5-6) 0.10 3.15 -109.56 4 5 2 60 274.405 10

Activity (Go SEA)

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