UCSF

ZINC35304196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) -1.84 2.89 -38.03 1 6 0 83 185.183 4
Hi High (pH 8-9.5) -1.84 0.61 -46.22 0 6 -1 82 184.175 4

Activity (Go SEA)

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