UCSF

ZINC27215313

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 13 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) 0.61 2.38 -45.35 4 2 1 40 197.327 6
Hi High (pH 8-9.5) 0.61 3.46 -41.68 4 2 1 43 197.327 6
Mid Mid (pH 6-8) 0.61 3.8 -124.84 5 2 2 44 198.335 6

Activity (Go SEA)

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