UCSF

ZINC21799276

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) 5.15 7.99 -13.97 1 3 0 41 301.773 1
Mid Mid (pH 6-8) 5.15 8.95 -54.28 0 3 -1 43 300.765 1

Activity (Go SEA)

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