UCSF

ZINC06092854

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 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) 4.72 8.27 -48.99 3 3 1 45 364.509 3
Hi High (pH 8-9.5) 4.72 6.18 -5.97 2 3 0 44 363.501 3

Activity (Go SEA)

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