UCSF

ZINC23004798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 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) 2.23 5.51 -12.01 0 6 0 51 372.396 4
Mid Mid (pH 6-8) 2.23 7.83 -56.77 1 6 1 52 373.404 4

Activity (Go SEA)

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