UCSF

ZINC21784418

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) 5.09 8.11 -42.48 1 6 -1 87 489.346 5
Mid Mid (pH 6-8) 4.63 9.22 -14.5 2 6 0 84 490.354 5

Activity (Go SEA)

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