UCSF

ZINC40127066

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 3.20 6.4 -66.64 3 8 -1 131 491.907 9
Lo Low (pH 4.5-6) 3.20 5.64 -24.55 4 8 0 128 492.915 9

Activity (Go SEA)

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