UCSF

ZINC36087389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.65 7.44 -41.61 1 5 -1 78 308.398 9
Lo Low (pH 4.5-6) 1.65 5.39 -8.7 2 5 0 76 309.406 9

Activity (Go SEA)

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