UCSF

ZINC20257344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) -0.21 2.9 -9.71 3 5 0 75 238.316 2
Lo Low (pH 4.5-6) -0.21 3.33 -41.03 4 5 1 76 239.324 2

Activity (Go SEA)

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