UCSF

ZINC44123175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 2.87 6.17 -35.37 2 3 1 28 277.432 4
Hi High (pH 8-9.5) 2.87 3.78 -2.41 1 3 0 27 276.424 4
Mid Mid (pH 6-8) 2.87 8.18 -113.81 3 3 2 29 278.44 4

Activity (Go SEA)

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