UCSF

ZINC21789648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 5.13 11.18 -46.8 2 1 1 17 306.882 5
Hi High (pH 8-9.5) 5.13 10 -3.46 1 1 0 12 305.874 5

Activity (Go SEA)

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