UCSF

ZINC09184779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 35 Yes

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) 4.37 8.96 -17.09 2 8 0 105 469.497 7
Hi High (pH 8-9.5) 4.35 9.83 -55.29 0 8 -1 104 468.489 7
Hi High (pH 8-9.5) 4.35 9.78 -66.58 0 8 -1 104 468.489 7
Hi High (pH 8-9.5) 4.37 9.73 -40.24 1 8 -1 108 468.489 7
Mid Mid (pH 6-8) 4.37 9.66 -58.92 1 8 -1 108 468.489 7

Activity (Go SEA)

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