UCSF

ZINC43478251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 4.75 7.83 -49.81 3 2 1 37 308.804 5
Hi High (pH 8-9.5) 4.75 8.6 -60.7 2 2 0 40 307.796 5
Hi High (pH 8-9.5) 4.75 6.58 -6.23 2 2 0 32 307.796 5

Activity (Go SEA)

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