UCSF

ZINC21588108

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 34 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) 4.38 10.32 -32.98 1 8 0 115 499.614 9
Hi High (pH 8-9.5) 4.57 9.26 -68.85 0 8 -1 122 498.606 9

Activity (Go SEA)

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