UCSF

ZINC43698588

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 Yes

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) 0.78 5.26 -41.59 2 3 1 34 266.386 3
Mid Mid (pH 6-8) 0.78 3.02 -8.37 1 3 0 33 265.378 3

Activity (Go SEA)

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