UCSF

ZINC21644869

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 34 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) 0.65 10.06 -54.99 2 9 1 80 470.642 11
Hi High (pH 8-9.5) 0.65 7.75 -21.19 1 9 0 79 469.634 11
Mid Mid (pH 6-8) 0.65 10.06 -58.52 2 9 1 80 470.642 11

Activity (Go SEA)

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