UCSF

ZINC06493623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 24 No

Other Names:

MFCD01239223

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) 2.87 4.92 -54.49 1 5 -1 78 342.758 4
Mid Mid (pH 6-8) 3.31 -2.14 -17.15 2 5 0 75 343.766 3
Mid Mid (pH 6-8) 2.28 -2.34 -11.88 1 5 0 72 343.766 4

Activity (Go SEA)

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