UCSF

ZINC35403785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 21 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) 1.02 6.2 -11.78 1 5 0 62 291.395 9
Lo Low (pH 4.5-6) 1.02 6.69 -37.55 2 5 1 64 292.403 9

Activity (Go SEA)

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