UCSF

ZINC43248842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.32 0.8 -45.58 4 3 1 51 257.423 7
Hi High (pH 8-9.5) 1.32 0.09 -4.02 3 3 0 49 256.415 7
Mid Mid (pH 6-8) 1.32 3.16 -27.6 4 3 1 51 257.423 7

Activity (Go SEA)

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