UCSF

ZINC33813869

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) 2.67 7.81 -57.49 1 9 -1 120 475.506 6
Lo Low (pH 4.5-6) 2.67 7.69 -27.28 2 9 0 117 476.514 6

Activity (Go SEA)

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