UCSF

ZINC34999386

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 2.10 2.43 -57.41 4 8 1 102 461.579 7
Mid Mid (pH 6-8) 2.10 0.71 -14.33 3 8 0 100 460.571 7
Lo Low (pH 4.5-6) 2.10 3.82 -103.5 5 8 2 106 462.587 7

Activity (Go SEA)

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