UCSF

ZINC37870073

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) 0.20 0.68 -33.38 4 4 1 60 200.306 4
Mid Mid (pH 6-8) 0.20 -0.53 -43.98 4 4 1 63 200.306 4
Lo Low (pH 4.5-6) 0.20 1.89 -103.75 5 4 2 64 201.314 4

Activity (Go SEA)

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