UCSF

ZINC35243961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 15 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) 1.50 3.93 -44.8 3 2 1 31 205.325 3
Mid Mid (pH 6-8) 1.50 5.88 -30.83 3 2 1 30 205.325 3
Lo Low (pH 4.5-6) 1.50 6.18 -119.18 4 2 2 32 206.333 3

Activity (Go SEA)

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