UCSF

ZINC36976841

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) 2.89 8.03 -49.07 1 5 -1 78 304.347 5
Hi High (pH 8-9.5) 3.08 6.36 -118.98 0 5 -2 85 303.339 5

Activity (Go SEA)

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