UCSF

ZINC22326725

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 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) 2.72 6.55 -11.4 2 6 0 74 372.494 6
Mid Mid (pH 6-8) 2.72 6.76 -39.16 3 6 1 76 373.502 6

Activity (Go SEA)

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