UCSF

ZINC42879215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.09 1.83 -47.24 3 5 1 59 267.349 7
Hi High (pH 8-9.5) 2.09 2.49 -34.12 2 5 0 61 266.341 7
Mid Mid (pH 6-8) 2.09 2.56 -38.7 3 5 1 55 267.349 7
Lo Low (pH 4.5-6) 2.09 3.91 -123.86 4 5 2 60 268.357 7

Activity (Go SEA)

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