UCSF

ZINC19633534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 2.26 6.84 -31.22 1 2 1 8 225.331 6
Hi High (pH 8-9.5) 2.26 4.2 -3.54 0 2 0 6 224.323 6
Mid Mid (pH 6-8) 2.26 7.12 -34.21 1 2 1 8 225.331 6
Lo Low (pH 4.5-6) 2.26 9.08 -103.64 2 2 2 9 226.339 6

Activity (Go SEA)

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