UCSF

ZINC34578702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 5.91 12.1 -17.59 2 8 0 83 490.604 12
Lo Low (pH 4.5-6) 5.91 12.82 -33.39 3 8 0 84 491.612 12

Activity (Go SEA)

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