UCSF

ZINC44621553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.56 5.65 -41.66 2 6 0 87 271.342 6
Mid Mid (pH 6-8) -0.74 5.2 -50.68 1 6 -1 93 270.334 6

Activity (Go SEA)

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