UCSF

ZINC20462916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 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) 3.89 10.27 -58.32 2 6 0 77 367.534 8
Lo Low (pH 4.5-6) 3.89 9.14 -41.5 3 6 1 74 368.542 8

Activity (Go SEA)

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