UCSF

ZINC31929342

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 5.17 8.75 -37.34 1 4 -1 60 324.429 6
Mid Mid (pH 6-8) 5.17 9.17 -13.05 2 4 0 58 325.437 6

Activity (Go SEA)

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