UCSF

ZINC20899082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 2.41 9.91 -22.32 1 9 0 119 438.465 2
Hi High (pH 8-9.5) 2.75 9.9 -41.75 1 9 -1 125 437.457 3

Activity (Go SEA)

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