UCSF

ZINC22221917

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.76 6.22 -43.61 3 4 1 51 282.795 3
Mid Mid (pH 6-8) 1.76 3.9 -5.81 2 4 0 50 281.787 3

Activity (Go SEA)

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