UCSF

ZINC37039821

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) -0.44 1.61 -96.69 4 4 2 45 217.357 7
Hi High (pH 8-9.5) -0.44 -0.65 -43.33 3 4 1 43 216.349 7
Mid Mid (pH 6-8) -0.44 1.67 -83.35 4 4 2 45 217.357 7

Activity (Go SEA)

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