UCSF

ZINC39229772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 3.25 11.84 -10.33 0 4 0 36 349.478 3
Lo Low (pH 4.5-6) 3.25 12.36 -31.08 1 4 1 38 350.486 3

Activity (Go SEA)

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