UCSF

ZINC35042707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 5.04 9.69 -42.75 0 5 -1 63 381.477 7
Lo Low (pH 4.5-6) 5.04 10.38 -15.06 1 5 0 60 382.485 7

Activity (Go SEA)

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