UCSF

ZINC13507626

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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 -10.44 -50.83 7 6 1 126 180.18 5
Mid Mid (pH 6-8) -3.35 -10.77 -12.14 6 6 0 124 179.172 5
Mid Mid (pH 6-8) -2.97 -10.7 -49.82 6 6 -1 130 178.164 4
Mid Mid (pH 6-8) -2.97 -10.66 -27.57 7 6 0 132 179.172 4

Activity (Go SEA)

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