UCSF

ZINC35889860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 39 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) 5.60 14.69 -13.59 0 7 0 68 522.649 7
Lo Low (pH 4.5-6) 5.60 15.01 -38.05 1 7 1 69 523.657 7

Activity (Go SEA)

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