UCSF

ZINC21789109

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) 4.59 13.04 -42.16 1 6 1 61 421.443 9
Hi High (pH 8-9.5) 4.59 10.69 -12.63 0 6 0 60 420.435 9

Activity (Go SEA)

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