UCSF

ZINC43388132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

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) 4.50 8.27 -41.16 2 2 1 29 297.394 5
Hi High (pH 8-9.5) 4.50 7.06 -3.18 1 2 0 25 296.386 5

Activity (Go SEA)

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