UCSF

ZINC09561000

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 35 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) 1.74 11.87 -15.77 1 7 0 76 468.557 7
Lo Low (pH 4.5-6) 1.74 12.34 -51.14 2 7 1 78 469.565 7

Activity (Go SEA)

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