UCSF

ZINC60018323

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 No

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) 6.04 8.23 -94.95 1 8 -2 126 588.494 8
Mid Mid (pH 6-8) 6.04 8.15 -52.42 2 8 -1 124 589.502 8
Mid Mid (pH 6-8) 6.04 8.16 -48.32 2 8 -1 124 589.502 8
Lo Low (pH 4.5-6) 6.04 8.09 -17.32 3 8 0 121 590.51 8

Activity (Go SEA)

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