UCSF

ZINC43247296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 0.03 0.32 -45.82 4 3 1 51 241.38 3
Hi High (pH 8-9.5) 0.03 0.12 -3.37 3 3 0 49 240.372 3
Mid Mid (pH 6-8) 0.03 1.85 -29.75 4 3 1 51 241.38 3

Activity (Go SEA)

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