UCSF

ZINC44376426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 0.69 5.28 -97.96 3 4 2 41 229.368 4
Hi High (pH 8-9.5) 0.69 2.15 -7.08 1 4 0 36 227.352 4
Mid Mid (pH 6-8) 0.69 3.99 -36.79 2 4 1 37 228.36 4

Activity (Go SEA)

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