UCSF

ZINC33722205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 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) 2.67 7.26 -28.47 2 10 0 123 433.49 8
Hi High (pH 8-9.5) 2.85 6.2 -58.74 1 10 -1 129 432.482 8

Activity (Go SEA)

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