UCSF

ZINC34970606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 3.87 7.92 -38.75 2 5 1 50 375.924 7
Hi High (pH 8-9.5) 3.87 7.48 -10.75 1 5 0 48 374.916 7
Mid Mid (pH 6-8) 3.87 10.13 -101.86 3 5 2 51 376.932 7
Mid Mid (pH 6-8) 3.87 9.71 -54.57 2 5 1 50 375.924 7

Activity (Go SEA)

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