UCSF

ZINC42947330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.00 8.05 -109.89 4 3 2 47 251.761 4
Hi High (pH 8-9.5) 2.00 6.96 -6.54 2 3 0 44 249.745 4
Mid Mid (pH 6-8) 2.00 7.26 -54.08 3 3 1 45 250.753 4

Activity (Go SEA)

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