UCSF

ZINC44420448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 18 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) -0.28 0.52 -8.02 1 5 0 45 253.346 2
Mid Mid (pH 6-8) -0.28 1.82 -50.13 2 5 1 49 254.354 2
Lo Low (pH 4.5-6) -0.28 3.8 -100.56 3 5 2 51 255.362 2

Activity (Go SEA)

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