UCSF

ZINC49378791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) 2.20 6.53 -52.68 2 4 1 57 252.382 4
Hi High (pH 8-9.5) 2.06 4.71 -35.59 1 4 0 64 251.374 4

Activity (Go SEA)

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