UCSF

ZINC40123925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 No

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) 3.61 7.6 -57.06 1 7 -1 97 436.484 10
Lo Low (pH 4.5-6) 3.61 6.84 -16.31 2 7 0 94 437.492 10

Activity (Go SEA)

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