UCSF

ZINC43305211

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) 0.88 6.45 -37.6 1 6 1 60 299.391 5
Hi High (pH 8-9.5) 0.88 4.34 -9.28 0 6 0 59 298.383 5

Activity (Go SEA)

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