UCSF

ZINC06506632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 21 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) 4.57 9.33 -10.07 1 3 0 46 316.813 4
Lo Low (pH 4.5-6) 4.57 9.72 -36.85 2 3 1 47 317.821 4

Activity (Go SEA)

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