UCSF

ZINC03991867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 46 No

Other Names:

MFCD02825077

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) 6.40 -7.41 -22.16 2 4 0 150 662.834 10
Hi High (pH 8-9.5) 6.40 -6.28 -94.85 2 10 -2 154 660.818 11
Hi High (pH 8-9.5) 6.40 -6.85 -55.33 3 10 -1 152 661.826 11

Activity (Go SEA)

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