UCSF

ZINC43453244

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.18 5.92 -107.32 3 4 2 41 231.384 8
Hi High (pH 8-9.5) 0.18 4.89 -37.26 2 4 1 37 230.376 8
Mid Mid (pH 6-8) 0.18 3.44 -43.18 2 4 1 40 230.376 8

Activity (Go SEA)

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