UCSF

ZINC33813970

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 2.76 11.07 -52.87 0 9 -1 113 474.522 6
Lo Low (pH 4.5-6) 2.76 9.76 -22.58 1 9 0 110 475.53 6

Activity (Go SEA)

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