UCSF

ZINC35808007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 4.50 12.44 -43.71 2 5 1 50 513.678 11
Lo Low (pH 4.5-6) 4.50 14.29 -104.33 3 5 2 51 514.686 11

Activity (Go SEA)

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