UCSF

ZINC42914517

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.26 3.23 -40.8 3 4 1 49 285.383 9
Mid Mid (pH 6-8) 1.26 4.74 -110.58 4 4 2 51 286.391 9

Activity (Go SEA)

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