UCSF

ZINC36769356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 1.28 1.78 -45.78 3 3 1 40 201.334 5
Lo Low (pH 4.5-6) 1.28 3.72 -124.37 4 3 2 41 202.342 5

Activity (Go SEA)

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