UCSF

ZINC17299713

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 23 No

Other Names:

MFCD02945965

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) 6.50 9.74 -6.41 1 3 0 45 407.72 2
Ref Reference (pH 7) 6.50 10.1 -6.77 1 3 0 45 407.72 2
Hi High (pH 8-9.5) 6.96 7.75 -41.09 0 3 -1 48 406.712 2
Hi High (pH 8-9.5) 6.96 8.25 -40.78 0 3 -1 48 406.712 2

Activity (Go SEA)

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