UCSF

ZINC04245721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

CAS Numbers: 70-00-8 , [70-00-8]

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) -0.99 -3.28 -22.3 3 7 0 105 296.201 3
Mid Mid (pH 6-8) -0.53 -5.94 -62.2 2 7 -1 108 295.193 3

Activity (Go SEA)

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