UCSF

ZINC36889698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 4.28 11.34 -15.56 0 3 0 43 276.376 10
Hi High (pH 8-9.5) 5.03 10.23 -50.74 0 3 -1 49 275.368 9

Activity (Go SEA)

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