UCSF

ZINC34960879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.13 10.91 -17.37 0 2 0 34 297.192 7
Hi High (pH 8-9.5) 4.88 9.81 -50.6 0 2 -1 40 296.184 6

Activity (Go SEA)

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