UCSF

ZINC36876239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.77 4.92 -47.97 4 3 1 56 281.177 4
Mid Mid (pH 6-8) 1.77 5.39 -104.15 5 3 2 58 282.185 4

Activity (Go SEA)

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