UCSF

ZINC09087979

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 No

Other Names:

MFCD02578227

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) 5.06 10.89 -21.58 2 7 0 103 398.469 5
Hi High (pH 8-9.5) 4.17 10.74 -62.51 1 7 -1 100 397.461 5

Activity (Go SEA)

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