UCSF

ZINC41091200

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 20 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) 3.25 4.67 -8.33 1 4 0 55 295.335 4
Hi High (pH 8-9.5) 3.25 4.63 -43.73 0 4 -1 57 294.327 4

Activity (Go SEA)

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