UCSF

ZINC36369837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 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) 2.82 9.4 -33.96 3 6 1 66 413.501 4
Hi High (pH 8-9.5) 2.82 7.36 -10.31 2 6 0 65 412.493 4

Activity (Go SEA)

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