UCSF

ZINC35744377

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 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) 2.50 6.43 -13.27 2 5 0 69 369.49 6
Lo Low (pH 4.5-6) 2.50 8.8 -53.28 3 5 1 70 370.498 6

Activity (Go SEA)

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