UCSF

ZINC39229632

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 4.44 12.33 -10.04 1 4 0 45 389.474 5
Lo Low (pH 4.5-6) 4.44 12.86 -34.2 2 4 1 46 390.482 5

Activity (Go SEA)

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