UCSF

ZINC19720135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 37 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) 5.07 11.96 -47.65 3 6 1 60 498.647 6
Hi High (pH 8-9.5) 5.07 9.69 -11.42 2 6 0 59 497.639 6
Mid Mid (pH 6-8) 5.07 11.05 -55.66 3 6 1 63 498.647 6

Activity (Go SEA)

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