UCSF

ZINC35515031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 38 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) 6.48 15.48 -15.54 0 7 0 82 512.606 8
Lo Low (pH 4.5-6) 6.48 15.88 -33.95 1 7 1 83 513.614 8

Activity (Go SEA)

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