UCSF

ZINC42449486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.08 1.23 -40.67 3 4 1 53 227.328 7
Hi High (pH 8-9.5) 0.08 -0.2 -5.15 2 4 0 49 226.32 7
Mid Mid (pH 6-8) 0.08 4.17 -42.67 3 4 1 57 227.328 7

Activity (Go SEA)

Rings

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