UCSF

ZINC33585860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 1.83 7.43 -13.58 0 8 0 98 406.423 3
Lo Low (pH 4.5-6) 1.83 7.83 -32.82 1 8 1 100 407.431 3

Activity (Go SEA)

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