UCSF

ZINC21781583

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 2.13 9.23 -51.76 2 7 1 72 414.505 6
Hi High (pH 8-9.5) 2.13 6.94 -18.61 1 7 0 70 413.497 6

Activity (Go SEA)

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