UCSF

ZINC03938199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 32 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) 6.49 0.1 -9.22 1 2 0 33 419.499 4
Lo Low (pH 4.5-6) 6.49 0.22 -30.29 2 2 1 34 420.507 4

Activity (Go SEA)

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