UCSF

ZINC66252008

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 41 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) 7.64 18.72 -47.6 0 5 -1 84 567.831 8
Lo Low (pH 4.5-6) 7.64 16.75 -10.66 1 5 0 81 568.839 8

Activity (Go SEA)

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