UCSF

ZINC09096092

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 23 No

Other Names:

MFCD09269717

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) 3.25 9.32 -12 2 7 0 96 335.385 5
Hi High (pH 8-9.5) 3.29 7.44 -36.91 1 7 -1 97 334.377 5
Hi High (pH 8-9.5) 2.50 8.27 -32.63 1 7 -1 103 334.377 4

Activity (Go SEA)

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