UCSF

ZINC37787217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.86 2.82 -15.11 2 5 0 59 254.359 4
Lo Low (pH 4.5-6) 0.86 2.88 -51.33 3 5 1 64 255.367 4

Activity (Go SEA)

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