UCSF

ZINC40109524

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 6.04 14.35 -63.43 0 5 -1 70 504.603 10
Lo Low (pH 4.5-6) 6.04 13.59 -17.83 1 5 0 67 505.611 10

Activity (Go SEA)

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