UCSF

ZINC37814119

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.23 1.69 -62.3 3 5 1 82 370.314 6
Hi High (pH 8-9.5) 0.23 1.39 -17.76 2 5 0 80 369.306 6

Activity (Go SEA)

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