UCSF

ZINC36169146

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) 3.28 8.41 -121.24 4 2 2 32 331.273 4
Hi High (pH 8-9.5) 3.28 7.95 -28.74 3 2 1 30 330.265 4
Mid Mid (pH 6-8) 3.28 7.03 -40.55 3 2 1 31 330.265 4

Activity (Go SEA)

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