UCSF

ZINC41945952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 2.38 7.07 -43.11 1 3 1 25 227.372 3
Mid Mid (pH 6-8) 2.38 5.13 -6.96 0 3 0 24 226.364 3

Activity (Go SEA)

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