UCSF

ZINC37008736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.09 -0.43 -40.58 3 5 1 58 216.305 5
Hi High (pH 8-9.5) -0.09 -1.87 -8.18 2 5 0 54 215.297 5
Mid Mid (pH 6-8) -0.09 1.96 -98.58 4 5 2 59 217.313 5

Activity (Go SEA)

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