UCSF

ZINC06596760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 22 No

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 5.61 -5.34 2 4 0 58 336.741 7
Hi High (pH 8-9.5) 3.85 4.8 -37.01 1 4 -1 65 335.733 7

Activity (Go SEA)

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