UCSF

ZINC21813433

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.53 6.24 -61.72 2 7 1 100 314.387 3
Hi High (pH 8-9.5) 1.53 4.86 -23.33 1 7 0 95 313.379 3

Activity (Go SEA)

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