UCSF

ZINC43402727

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) 1.40 6.93 -52.24 2 3 1 37 269.365 3
Hi High (pH 8-9.5) 1.40 5.57 -13.44 1 3 0 32 268.357 3

Activity (Go SEA)

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