UCSF

ZINC44123471

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.41 4.1 -6.34 1 3 0 33 269.344 3
Mid Mid (pH 6-8) 2.41 6.4 -38.38 2 3 1 34 270.352 3

Activity (Go SEA)

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