UCSF

ZINC43444924

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) 1.06 0.99 -46.35 4 3 1 57 196.27 6
Hi High (pH 8-9.5) 1.06 0.59 -5.66 3 3 0 55 195.262 6

Activity (Go SEA)

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