UCSF

ZINC20987949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 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) 3.92 7.24 -13.5 1 3 0 42 286.4 3
Lo Low (pH 4.5-6) 3.92 8.14 -27.53 2 3 1 43 287.408 3

Activity (Go SEA)

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