UCSF

ZINC31164435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 32 No

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) 0.94 -4.6 -26.91 6 10 0 166 450.44 8
Mid Mid (pH 6-8) 0.94 -4.34 -61.6 5 10 -1 169 449.432 8

Activity (Go SEA)

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