UCSF

ZINC21154810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 22 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) 0.79 6.74 -16.47 0 5 0 44 301.39 2
Mid Mid (pH 6-8) 0.79 9.14 -53.37 1 5 1 45 302.398 2

Activity (Go SEA)

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