UCSF

ZINC35524088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 26 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) 4.46 11.48 -49.79 2 4 1 46 371.574 2
Hi High (pH 8-9.5) 4.46 10.16 -5.87 1 4 0 41 370.566 2

Activity (Go SEA)

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