UCSF

ZINC38591835

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 3.06 5.42 -16.49 2 6 0 86 306.325 4
Hi High (pH 8-9.5) 3.06 6.43 -57.44 1 6 -1 89 305.317 4

Activity (Go SEA)

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