UCSF

ZINC40143511

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 6.30 14.62 -50.18 2 4 1 46 494.99 7
Hi High (pH 8-9.5) 6.36 13.18 -67.76 1 4 0 53 493.982 7

Activity (Go SEA)

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