UCSF

ZINC17209476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 15 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) 1.77 3.65 -19.01 1 5 0 68 223.257 3
Hi High (pH 8-9.5) 1.96 2.59 -43.87 0 5 -1 74 222.249 3

Activity (Go SEA)

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