UCSF

ZINC43395929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.13 7.43 -167.44 5 4 3 49 265.425 4
Hi High (pH 8-9.5) 1.13 7.08 -73.62 4 4 2 48 264.417 4
Mid Mid (pH 6-8) 1.13 6.98 -96.96 4 4 2 48 264.417 4

Activity (Go SEA)

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