UCSF

ZINC20247815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.45 5.59 -42.05 0 3 -1 45 300.384 2
Lo Low (pH 4.5-6) 2.99 6.68 -9.5 1 3 0 42 301.392 2

Activity (Go SEA)

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