UCSF

ZINC29652480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 25 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) 1.51 6.9 -17.56 1 6 0 73 335.411 5
Lo Low (pH 4.5-6) 1.51 7.34 -51.12 2 6 1 74 336.419 5

Activity (Go SEA)

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