UCSF

ZINC06014768

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 25 No

Other Names:

MFCD02045377

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) 3.16 8.72 -55.51 0 4 -1 60 336.342 5
Mid Mid (pH 6-8) 3.61 8.52 -14.1 1 4 0 58 337.35 4
Mid Mid (pH 6-8) 2.58 9.83 -17.98 0 4 0 54 337.35 5

Activity (Go SEA)

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