UCSF

ZINC39879599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

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) 5.69 10.83 -11.85 1 6 0 80 506.352 3
Hi High (pH 8-9.5) 5.69 11.74 -50.14 0 6 -1 83 505.344 3

Activity (Go SEA)

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