UCSF

ZINC43448110

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.77 6.02 -113.13 4 4 2 52 271.449 8
Hi High (pH 8-9.5) 0.77 5.59 -40.45 3 4 1 51 270.441 8
Mid Mid (pH 6-8) 0.77 4 -49.42 3 4 1 51 270.441 8

Activity (Go SEA)

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