UCSF

ZINC34612069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 Yes

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) 2.63 4.81 -3.33 1 2 0 21 177.247 0
Lo Low (pH 4.5-6) 2.63 5.14 -32.43 2 2 1 26 178.255 0

Activity (Go SEA)

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