UCSF

ZINC49634000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 13 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) -0.27 2.03 -35.94 2 4 1 45 189.279 5
Hi High (pH 8-9.5) -0.27 -0.24 -10.97 1 4 0 44 188.271 5

Activity (Go SEA)

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