UCSF

ZINC20236774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) -0.84 10.24 -31.18 2 8 1 108 451.528 4
Hi High (pH 8-9.5) 1.64 9.99 -24 1 8 0 107 450.52 4

Activity (Go SEA)

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