UCSF

ZINC22774885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 3.74 11.68 -45.59 1 4 1 42 415.554 8
Hi High (pH 8-9.5) 3.74 9.35 -14.1 0 4 0 41 414.546 8
Mid Mid (pH 6-8) 3.74 11.73 -50.21 1 4 1 42 415.554 8

Activity (Go SEA)

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