UCSF

ZINC08061777

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 20 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) 2.21 8.21 -39.68 1 5 1 63 275.376 3
Hi High (pH 8-9.5) 2.21 5.99 -12.45 0 5 0 62 274.368 3

Activity (Go SEA)

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