UCSF

ZINC19745839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 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) 2.56 10.4 -106.58 2 2 2 9 246.398 3
Hi High (pH 8-9.5) 2.56 5.76 -2.02 0 2 0 6 244.382 3
Mid Mid (pH 6-8) 2.56 7.86 -31.54 1 2 1 8 245.39 3

Activity (Go SEA)

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