UCSF

ZINC31921898

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.65 6.61 -17.41 2 4 0 56 302.79 3
Lo Low (pH 4.5-6) 1.65 7.04 -49.31 3 4 1 57 303.798 3

Activity (Go SEA)

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