UCSF

ZINC44651756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 0.19 1.76 -37.61 3 3 1 42 200.331 6
Hi High (pH 8-9.5) 0.19 0.39 -4.19 2 3 0 37 199.323 6
Mid Mid (pH 6-8) 0.19 3.11 -112.92 4 3 2 46 201.339 6

Activity (Go SEA)

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