UCSF

ZINC64858027

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 26 Yes

CAS Number: 78919-13-8

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) 3.68 9.44 -48.86 2 4 -1 81 359.486 8
Lo Low (pH 4.5-6) 3.68 7.46 -10.37 3 4 0 78 360.494 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.