UCSF

ZINC39766603

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 27 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) 2.48 6.86 -17.06 2 8 0 102 385.449 8
Hi High (pH 8-9.5) 2.48 6.68 -51.54 1 8 -1 100 384.441 8

Activity (Go SEA)

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