UCSF

ZINC40124198

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 4.98 9.78 -54.69 1 5 -1 78 406.502 7
Lo Low (pH 4.5-6) 4.98 9.02 -11.28 2 5 0 76 407.51 7

Activity (Go SEA)

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