UCSF

ZINC43897350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 1.99 6.36 -93.01 3 4 2 34 291.439 3
Hi High (pH 8-9.5) 1.99 4.5 -38.03 2 4 1 29 290.431 3
Hi High (pH 8-9.5) 1.99 5.49 -38.17 2 4 1 29 290.431 3
Mid Mid (pH 6-8) 1.99 7.11 -107.09 3 4 2 30 291.439 3

Activity (Go SEA)

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