UCSF

ZINC27019578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 38 No

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) 6.33 16.53 -18.4 0 5 0 51 522.649 6
Lo Low (pH 4.5-6) 6.33 17.45 -38.43 1 5 1 52 523.657 6

Activity (Go SEA)

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