UCSF

ZINC26382762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 20 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) 1.48 9.59 -17.64 0 5 0 53 268.32 4
Mid Mid (pH 6-8) 1.48 10.07 -43.33 1 5 1 54 269.328 4

Activity (Go SEA)

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