UCSF

ZINC43619442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 32 Yes

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) 2.33 11.87 -61.6 2 7 1 77 435.596 7
Hi High (pH 8-9.5) 2.33 9.97 -13.94 1 7 0 76 434.588 7

Activity (Go SEA)

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