UCSF

ZINC16904715

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 24 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) 3.58 5.28 -93.07 1 6 -2 104 338.344 4
Lo Low (pH 4.5-6) 3.58 5.81 -54.83 2 6 -1 102 339.352 4

Activity (Go SEA)

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