UCSF

ZINC39680989

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 0.90 7.26 -70.49 3 7 1 82 436.58 5
Lo Low (pH 4.5-6) 0.90 7.72 -124.26 4 7 2 83 437.588 5

Activity (Go SEA)

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