UCSF

ZINC41678697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.53 5.6 -11.6 1 4 0 47 270.379 4
Mid Mid (pH 6-8) 1.99 4.33 -41.56 0 4 -1 50 269.371 4

Activity (Go SEA)

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