UCSF

ZINC12081033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 27 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) 3.73 7.83 -11.75 1 5 0 59 398.768 4
Hi High (pH 8-9.5) 3.91 6.14 -33.77 0 5 -1 65 397.76 4

Activity (Go SEA)

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