UCSF

ZINC00683130

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD05740707

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) 2.93 -7.81 -19.68 2 8 0 118 432.527 6
Hi High (pH 8-9.5) 2.93 -7.27 -50.51 1 8 -1 120 431.519 6
Hi High (pH 8-9.5) 2.93 -7.25 -54.28 1 8 -1 120 431.519 6
Hi High (pH 8-9.5) 2.93 -6.7 -105.76 0 8 -2 122 430.511 6

Activity (Go SEA)

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