UCSF

ZINC44446034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 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) 2.33 9.52 -18.52 0 5 0 52 382.485 8
Lo Low (pH 4.5-6) 2.33 9.94 -47.48 1 5 1 53 383.493 8

Activity (Go SEA)

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