UCSF

ZINC42526340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 2.22 5.12 -12.84 3 4 0 62 279.409 5
Lo Low (pH 4.5-6) 2.22 5.15 -40.38 4 4 1 64 280.417 5

Activity (Go SEA)

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