UCSF

ZINC21704621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 3.80 7 -22.44 1 8 0 96 471.608 6
Hi High (pH 8-9.5) 3.62 5.99 -49.82 0 8 -1 102 470.6 6
Mid Mid (pH 6-8) 3.80 9.29 -63.9 2 8 1 97 472.616 6

Activity (Go SEA)

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