UCSF

ZINC49163964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 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) 0.25 5.08 -99.82 4 4 2 49 231.384 7
Hi High (pH 8-9.5) 0.25 0.71 -33.23 3 4 1 40 230.376 7
Mid Mid (pH 6-8) 0.25 3.26 -82.08 4 4 2 41 231.384 7

Activity (Go SEA)

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