UCSF

ZINC40100719

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 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) 1.68 4.55 -61.69 1 10 -1 127 500.524 13
Lo Low (pH 4.5-6) 1.68 3.79 -18.87 2 10 0 124 501.532 13

Activity (Go SEA)

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