UCSF

ZINC36744620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 22 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) 1.80 2.85 -47.18 4 6 1 94 328.458 9
Hi High (pH 8-9.5) 1.80 0.8 -14.77 3 6 0 93 327.45 9

Activity (Go SEA)

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