UCSF

ZINC27642500

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 4.14 7.69 -54.41 2 4 -1 81 349.491 10
Lo Low (pH 4.5-6) 4.14 6.57 -13.5 3 4 0 78 350.499 10

Activity (Go SEA)

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