UCSF

ZINC31921188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.62 8.65 -8.54 0 3 0 30 336.62 2
Lo Low (pH 4.5-6) 3.62 9.08 -36.79 1 3 1 31 337.628 2

Activity (Go SEA)

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