UCSF

ZINC04349935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 30 No

Other Names:

MFCD02742477

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) 5.20 13.19 -34.1 3 5 1 72 415.542 7
Ref Reference (pH 7) 5.20 13.33 -30.6 3 5 1 72 415.542 7
Hi High (pH 8-9.5) 5.07 12.89 -18.76 2 5 0 73 414.534 6
Hi High (pH 8-9.5) 5.07 13.1 -34.96 3 5 1 74 415.542 6
Hi High (pH 8-9.5) 5.07 13.24 -30.52 3 5 1 74 415.542 6

Activity (Go SEA)

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