UCSF

ZINC35862289

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 39 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) 4.96 12.44 -20.04 1 7 0 85 523.633 8
Lo Low (pH 4.5-6) 4.96 12.9 -49.7 2 7 1 86 524.641 8

Activity (Go SEA)

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