UCSF

ZINC01587580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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 -10.33 -48.17 7 6 1 126 180.18 5
Mid Mid (pH 6-8) -2.97 -11.01 -28.51 7 6 0 132 179.172 4
Mid Mid (pH 6-8) -2.97 -11.08 -49.36 6 6 -1 130 178.164 4
Mid Mid (pH 6-8) -3.35 -10.62 -12.01 6 6 0 124 179.172 5

Activity (Go SEA)

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

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