UCSF

ZINC37839408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.25 8.63 -16.22 0 4 0 47 261.321 6
Hi High (pH 8-9.5) 2.00 7.54 -55.89 0 4 -1 53 260.313 5

Activity (Go SEA)

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