UCSF

ZINC43445308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.85 3.8 -97.35 4 3 2 41 204.358 8
Hi High (pH 8-9.5) 0.85 2.7 -33.94 3 3 1 37 203.35 8

Activity (Go SEA)

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