UCSF

ZINC19721739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 17 Yes

Other Names:

MFCD07644624

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) 0.84 2.3 -88.15 5 4 2 60 230.315 1
Hi High (pH 8-9.5) 0.84 0.44 -8.01 3 4 0 54 228.299 1
Mid Mid (pH 6-8) 0.84 1.86 -47.4 4 4 1 59 229.307 1

Activity (Go SEA)

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