UCSF

ZINC37869821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 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) -0.30 1.73 -34.71 4 4 1 60 198.29 2
Hi High (pH 8-9.5) -0.30 -0.61 -8.24 3 4 0 58 197.282 2
Lo Low (pH 4.5-6) -0.30 1.66 -102.83 5 4 2 64 199.298 2

Activity (Go SEA)

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