UCSF

ZINC20073338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.62 5.12 -87.17 4 3 2 35 243.439 8
Lo Low (pH 4.5-6) 1.62 7.53 -157.62 5 3 3 37 244.447 8
Lo Low (pH 4.5-6) 1.62 5.19 -81.97 4 3 2 35 243.439 8

Activity (Go SEA)

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