UCSF

ZINC37098376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 3.48 8.06 -33 1 3 1 30 284.836 4
Hi High (pH 8-9.5) 3.48 5.75 -5.76 0 3 0 29 283.828 4

Activity (Go SEA)

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