UCSF

ZINC08432743

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 37 No

Other Names:

MFCD02949685

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) 7.79 -7.17 -14.31 2 7 0 101 618.347 8
Hi High (pH 8-9.5) 7.79 -6.59 -43.92 1 7 -1 103 617.339 8
Hi High (pH 8-9.5) 7.79 -6.01 -88.43 0 7 -2 105 616.331 8

Activity (Go SEA)

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