UCSF

ZINC03650207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 No

CAS Number: [66-84-2]

Other Names:

MFCD00135831

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) -3.35 -10.42 -47.78 7 6 1 126 180.18 5

Activity (Go SEA)

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