UCSF

ZINC17887622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 20 No

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) 5.17 8.01 -8.23 1 3 0 45 320.826 2
Ref Reference (pH 7) 4.68 7.58 -40.01 0 3 -1 44 319.818 3
Hi High (pH 8-9.5) 5.63 6.12 -45.29 0 3 -1 48 319.818 2

Activity (Go SEA)

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