UCSF

ZINC39864094

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 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) 6.29 8.37 -11.5 1 5 0 67 413.93 3
Hi High (pH 8-9.5) 6.29 9.12 -46.76 0 5 -1 70 412.922 3

Activity (Go SEA)

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