UCSF

ZINC43709865

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 0.60 5.58 -56.72 2 5 1 55 311.427 5
Hi High (pH 8-9.5) 0.60 4.21 -12.15 1 5 0 51 310.419 5

Activity (Go SEA)

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