UCSF

ZINC36997581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.02 10.51 -95.21 3 2 2 21 296.886 5
Hi High (pH 8-9.5) 4.02 9.77 -30.93 2 2 1 16 295.878 5

Activity (Go SEA)

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