UCSF

ZINC12620792

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 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) 2.88 4.61 -14.01 1 7 0 79 443.997 5
Lo Low (pH 4.5-6) 2.88 6.88 -43.18 2 7 1 80 445.005 5

Activity (Go SEA)

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