UCSF

ZINC39855952

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.65 10.64 -39.8 5 9 1 142 413.454 7
Hi High (pH 8-9.5) 3.65 10.7 -15.74 4 9 0 140 412.446 7

Activity (Go SEA)

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