UCSF

ZINC28221915

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 27 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) -1.66 1.99 -64.25 4 8 -1 136 388.425 6
Mid Mid (pH 6-8) -1.66 2.34 -85.56 5 8 0 137 389.433 6

Activity (Go SEA)

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