UCSF

ZINC40117935

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 3.00 6.26 -56.51 1 5 -1 78 368.434 6
Lo Low (pH 4.5-6) 3.00 5.5 -13.89 2 5 0 76 369.442 6

Activity (Go SEA)

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