UCSF

ZINC43477063

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) 5.21 7.56 -7.33 1 3 0 46 317.175 2
Hi High (pH 8-9.5) 5.21 8.32 -42.24 0 3 -1 49 316.167 2

Activity (Go SEA)

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