UCSF

ZINC41685721

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.55 4.04 -47.15 3 6 1 81 275.369 12
Mid Mid (pH 6-8) 0.55 2.68 -9.86 2 6 0 77 274.361 12

Activity (Go SEA)

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