UCSF

ZINC34963734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 Yes

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) 3.33 6.41 -33.32 2 2 1 26 324.036 5
Hi High (pH 8-9.5) 3.33 5 -3.88 1 2 0 21 323.028 5

Activity (Go SEA)

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