UCSF

ZINC43427508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.18 2.66 -42.82 2 4 1 46 199.274 2
Hi High (pH 8-9.5) 0.18 1.23 -7.86 1 4 0 42 198.266 2

Activity (Go SEA)

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