UCSF

ZINC43411719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.37 6.42 -109.1 3 4 2 43 267.417 6
Mid Mid (pH 6-8) 2.37 5.04 -31.89 2 4 1 39 266.409 6
Mid Mid (pH 6-8) 2.37 5.66 -82.2 3 4 2 40 267.417 6

Activity (Go SEA)

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