UCSF

ZINC43700060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -1.26 4.89 -46.68 3 4 0 71 200.282 7
Hi High (pH 8-9.5) -1.26 3.52 -32.18 3 4 0 71 200.282 7
Mid Mid (pH 6-8) -1.26 5.22 -78.37 4 4 1 72 201.29 7

Activity (Go SEA)

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