UCSF

ZINC55506752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 16 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) 2.48 7.04 -33.61 1 2 1 14 224.299 4
Hi High (pH 8-9.5) 2.48 4.65 -2.81 0 2 0 12 223.291 4

Activity (Go SEA)

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