UCSF

ZINC44678513

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) -1.41 0.25 -45.61 3 6 1 75 244.315 6
Mid Mid (pH 6-8) -1.41 -1.07 -6.52 2 6 0 71 243.307 6

Activity (Go SEA)

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