UCSF

ZINC20037857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 35 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) 3.79 9.99 -33.16 4 12 1 145 483.601 13
Mid Mid (pH 6-8) 3.79 8.01 -11.92 3 12 0 144 482.593 13

Activity (Go SEA)

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