UCSF

ZINC20355422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 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) 4.23 14.92 -16.61 1 6 0 67 466.585 8
Lo Low (pH 4.5-6) 4.23 15.34 -45.12 2 6 1 68 467.593 8

Activity (Go SEA)

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