UCSF

ZINC20413377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 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) 5.10 12.36 -7.69 0 3 0 33 420.965 3
Lo Low (pH 4.5-6) 5.10 13.27 -30.09 1 3 1 34 421.973 3

Activity (Go SEA)

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