UCSF

ZINC43366311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 22 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) 4.71 6.5 -102.68 7 4 2 87 315.546 17
Hi High (pH 8-9.5) 4.71 5.37 -51.89 6 4 1 83 314.538 17

Activity (Go SEA)

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