UCSF

ZINC37747624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 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) 2.76 4.02 -55.59 5 4 1 77 271.34 4
Hi High (pH 8-9.5) 2.76 5.03 -93.5 4 4 0 80 270.332 4

Activity (Go SEA)

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