UCSF

ZINC41652928

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 3.67 6.81 -54.26 3 1 1 28 236.697 2
Hi High (pH 8-9.5) 3.67 6.48 -4.82 2 1 0 26 235.689 2

Activity (Go SEA)

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