UCSF

ZINC35288173

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 5.49 11.57 -10.15 1 3 0 46 397.316 4
Hi High (pH 8-9.5) 5.95 10.09 -46.07 0 3 -1 49 396.308 4

Activity (Go SEA)

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