UCSF

ZINC39855968

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) 2.02 5.66 -35.22 6 7 1 118 320.417 5
Hi High (pH 8-9.5) 2.02 5.63 -15.32 5 7 0 117 319.409 5

Activity (Go SEA)

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