UCSF

ZINC21873787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.67 5.89 -22.75 2 8 0 103 490.965 9
Mid Mid (pH 6-8) 4.67 5.96 -56.19 1 8 -1 105 489.957 9

Activity (Go SEA)

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