UCSF

ZINC21877681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 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) 3.02 8.16 -12.41 2 8 0 96 451.571 7
Mid Mid (pH 6-8) 3.28 4.48 -39.65 3 8 1 105 452.579 7

Activity (Go SEA)

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