UCSF

ZINC11889729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 17 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) -1.48 0.96 -49.73 1 7 -1 112 261.279 5
Hi High (pH 8-9.5) -1.48 0.61 -112.41 0 7 -2 114 260.271 5

Activity (Go SEA)

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