UCSF

ZINC20145552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 3.18 7.29 -36.95 2 2 1 20 227.416 6
Hi High (pH 8-9.5) 3.17 8.64 -29.65 2 2 1 16 227.416 6
Mid Mid (pH 6-8) 3.18 9.19 -115.22 3 2 2 21 228.424 6

Activity (Go SEA)

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