UCSF

ZINC20879011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 5.55 12.3 -59.5 1 5 -1 71 404.486 9
Lo Low (pH 4.5-6) 5.55 11.19 -14.52 2 5 0 68 405.494 9

Activity (Go SEA)

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