UCSF

ZINC26749252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 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) 5.99 17.62 -133.26 2 2 2 9 442.569 11
Hi High (pH 8-9.5) 5.99 12.97 -7.47 0 2 0 6 440.553 11
Hi High (pH 8-9.5) 5.99 15.29 -46.62 1 2 1 8 441.561 11
Mid Mid (pH 6-8) 5.99 15.46 -49.59 1 2 1 8 441.561 11

Activity (Go SEA)

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