UCSF

ZINC53127455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 0.41 0.82 -39.67 4 5 1 75 271.381 4
Mid Mid (pH 6-8) 0.41 -0.37 -9.95 3 5 0 71 270.373 4

Activity (Go SEA)

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