UCSF

ZINC06728504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 27 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) 2.74 8.81 -15.42 1 6 0 79 379.441 4
Hi High (pH 8-9.5) 2.56 7.27 -51.54 0 6 -1 86 378.433 4

Activity (Go SEA)

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