UCSF

ZINC40290832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 18 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) 1.38 3.85 -13.31 2 5 0 64 266.37 2
Lo Low (pH 4.5-6) 1.38 4.01 -34.71 3 5 1 66 267.378 2

Activity (Go SEA)

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