UCSF

ZINC34682264

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 3.24 9.59 -42.28 3 6 1 70 395.527 7
Lo Low (pH 4.5-6) 3.24 9.93 -96.2 4 6 2 71 396.535 7

Activity (Go SEA)

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