UCSF

ZINC03646498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 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) -0.71 1.86 -37.48 4 4 0 88 260.087 3
Hi High (pH 8-9.5) -0.71 2.6 -67.02 3 4 -1 91 259.079 3

Activity (Go SEA)

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