UCSF

ZINC21808489

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 0.98 3.59 -55.93 2 5 1 69 316.443 10
Hi High (pH 8-9.5) 0.98 2.33 -13.89 1 5 0 65 315.435 10

Activity (Go SEA)

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