UCSF

ZINC69130261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 31 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) 4.63 12.53 -46.02 1 6 0 80 414.461 4
Hi High (pH 8-9.5) 4.63 10.3 -60.4 0 6 -1 79 413.453 4

Activity (Go SEA)

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