UCSF

ZINC39855969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 23 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) 1.82 5.7 -35.12 6 7 1 118 320.417 4
Hi High (pH 8-9.5) 1.82 5.69 -15.57 5 7 0 117 319.409 4

Activity (Go SEA)

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