UCSF

ZINC48797547

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 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) 1.18 8.97 -23.84 1 6 0 72 267.292 2
Hi High (pH 8-9.5) 1.25 8.15 -58.89 0 6 -1 79 266.284 2

Activity (Go SEA)

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