UCSF

ZINC34929827

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 3.54 4.8 -56.2 2 7 -1 111 442.561 8
Lo Low (pH 4.5-6) 3.91 6.54 -14.63 3 7 0 104 443.569 7

Activity (Go SEA)

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