UCSF

ZINC18282780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 10 Yes

CAS Numbers: 641-74-7 , 652-67-5

Other Names:

Isomannide

MFCD00064818

Download: MOL2 SDF SMILES Flexibase

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) -1.31 -5.41 -9.48 2 4 0 59 146.142 0

Activity (Go SEA)

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