UCSF

ZINC43353740

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 2.13 5.06 -45.17 3 3 1 44 262.421 8
Hi High (pH 8-9.5) 2.13 5.65 -2.14 2 3 0 42 261.413 8
Mid Mid (pH 6-8) 2.13 7.02 -34.28 3 3 1 43 262.421 8

Activity (Go SEA)

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