UCSF

ZINC43413678

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.27 3.68 -74.89 4 5 0 97 256.346 7
Lo Low (pH 4.5-6) 0.27 1.71 -52.14 5 5 1 94 257.354 7

Activity (Go SEA)

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