UCSF

ZINC04698929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 26 No

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) 4.05 5.63 -10.89 3 6 0 91 412.243 4
Hi High (pH 8-9.5) 4.05 6.41 -53.6 2 6 -1 94 411.235 4
Lo Low (pH 4.5-6) 4.05 5.92 -34.4 4 6 1 92 413.251 4

Activity (Go SEA)

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