UCSF

ZINC42463905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.16 4.06 -36.53 3 3 1 40 249.378 5
Hi High (pH 8-9.5) 0.16 3.29 -3.54 2 3 0 38 248.37 5
Mid Mid (pH 6-8) 0.16 5.83 -114.57 4 3 2 41 250.386 5

Activity (Go SEA)

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