UCSF

ZINC26333682

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 29 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) 4.19 8.93 -56.58 3 6 1 76 432.331 6
Hi High (pH 8-9.5) 4.19 6.78 -19.62 2 6 0 74 431.323 6

Activity (Go SEA)

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