UCSF

ZINC43754970

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2010 23 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) 1.35 4.23 -11.44 5 5 0 83 306.369 2
Lo Low (pH 4.5-6) 1.35 5.39 -52.13 6 5 1 88 307.377 2

Activity (Go SEA)

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