UCSF

ZINC52575542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 15 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) 1.36 7.91 -107.21 3 3 2 36 203.289 4
Hi High (pH 8-9.5) 1.36 5.65 -5.46 1 3 0 30 201.273 4
Mid Mid (pH 6-8) 1.36 7.07 -46.23 2 3 1 34 202.281 4

Activity (Go SEA)

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