UCSF

ZINC34591656

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) -1.20 -3.32 -54.39 6 10 1 159 362.334 6
Hi High (pH 8-9.5) -0.74 -4.96 -65.1 4 10 -1 160 360.318 6
Mid Mid (pH 6-8) -1.20 -3.65 -15.7 5 10 0 157 361.326 6

Activity (Go SEA)

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