UCSF

ZINC42561065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.26 6.27 -45.03 3 3 1 44 222.356 5
Hi High (pH 8-9.5) 2.26 6.16 -3.4 2 3 0 42 221.348 5
Mid Mid (pH 6-8) 2.26 6.6 -99.18 4 3 2 45 223.364 5

Activity (Go SEA)

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