UCSF

ZINC06321629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 25 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) 3.86 8.63 -59.56 1 5 -1 82 390.849 3
Hi High (pH 8-9.5) 3.86 9.41 -91 0 5 -2 85 389.841 3

Activity (Go SEA)

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