UCSF

ZINC06250965

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 36 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) 3.85 9.09 -35.36 2 8 0 102 525.03 7
Hi High (pH 8-9.5) 3.85 10.72 -80.17 1 8 -1 104 524.022 7

Activity (Go SEA)

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