UCSF

ZINC36163528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.16 2.4 -50.53 3 6 1 83 259.289 1
Hi High (pH 8-9.5) 0.61 -0.68 -44.64 1 6 -1 81 257.273 1
Mid Mid (pH 6-8) 0.16 0.86 -9.03 2 6 0 78 258.281 1

Activity (Go SEA)

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