UCSF

ZINC39860723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.85 6.82 -10.46 1 4 0 59 365.332 3
Hi High (pH 8-9.5) 3.85 7.62 -40.4 0 4 -1 62 364.324 3

Activity (Go SEA)

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