UCSF

ZINC29485663

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 3.71 7.13 -46.91 3 5 1 63 412.55 4
Hi High (pH 8-9.5) 3.71 5.15 -3.5 2 5 0 62 411.542 4

Activity (Go SEA)

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