UCSF

ZINC37083177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.00 9.06 -115.78 4 2 2 32 274.452 2
Hi High (pH 8-9.5) 2.00 6.96 -1.5 2 2 0 29 272.436 2
Mid Mid (pH 6-8) 2.00 9.05 -31.66 3 2 1 30 273.444 2

Activity (Go SEA)

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