UCSF

ZINC43242959

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 0.19 -0.49 -43.24 4 4 1 60 259.395 7
Hi High (pH 8-9.5) 0.19 -0.95 -5.4 3 4 0 59 258.387 7
Mid Mid (pH 6-8) 0.19 2.3 -32.24 4 4 1 60 259.395 7

Activity (Go SEA)

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