UCSF

ZINC00727660

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 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) 4.50 7.24 -22.61 2 9 0 121 557.426 8
Hi High (pH 8-9.5) 4.96 5.5 -53.92 1 9 -1 124 556.418 8

Activity (Go SEA)

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