UCSF

ZINC08690402

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 21 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) 3.83 -2.04 -11.09 1 4 0 59 304.415 5
Hi High (pH 8-9.5) 3.83 -1.48 -44.98 0 4 -1 61 303.407 5
Lo Low (pH 4.5-6) 3.83 -1.78 -34.82 2 4 1 60 305.423 5

Activity (Go SEA)

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