UCSF

ZINC34930654

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) 3.36 8.65 -15.07 1 9 0 100 428.489 9
Mid Mid (pH 6-8) 3.36 10.91 -66.62 2 9 1 101 429.497 9

Activity (Go SEA)

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