UCSF

ZINC40100274

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.17 2.03 -64.3 2 8 -1 119 412.418 9
Lo Low (pH 4.5-6) 1.17 1.27 -17.88 3 8 0 117 413.426 9

Activity (Go SEA)

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