UCSF

ZINC43427451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) -0.80 0.32 -47.61 3 4 1 57 185.247 1
Hi High (pH 8-9.5) -0.80 -0.08 -7.91 2 4 0 56 184.239 1

Activity (Go SEA)

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