UCSF

ZINC34947824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 2.84 12.29 -43.1 1 4 1 38 368.545 10
Lo Low (pH 4.5-6) 2.84 12.83 -94.34 2 4 2 39 369.553 10

Activity (Go SEA)

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