UCSF

ZINC34954419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.36 11.84 -57.64 0 6 -1 86 458.494 4
Lo Low (pH 4.5-6) 4.36 10.94 -13.65 1 6 0 83 459.502 4

Activity (Go SEA)

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