UCSF

ZINC43437488

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.87 7.57 -109.25 4 2 2 33 230.44 8
Mid Mid (pH 6-8) 3.87 7.12 -34.93 3 2 1 29 229.432 8
Mid Mid (pH 6-8) 3.87 6.38 -30.82 3 2 1 29 229.432 8

Activity (Go SEA)

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