UCSF

ZINC36965003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.66 5.9 -46.38 1 5 -1 86 327.744 4
Hi High (pH 8-9.5) 3.12 4.2 -118.63 0 5 -2 89 326.736 4

Activity (Go SEA)

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