UCSF

ZINC60047801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 18 No

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) 1.52 6.99 -10.19 0 5 0 60 248.282 4
Lo Low (pH 4.5-6) 1.52 7.45 -43.42 1 5 1 61 249.29 4

Activity (Go SEA)

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