UCSF

ZINC43334382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 15 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) 1.30 3.37 -41.06 3 3 1 44 209.313 3
Mid Mid (pH 6-8) 1.30 5.07 -108.24 4 3 2 45 210.321 3
Mid Mid (pH 6-8) 1.30 4.8 -30.42 3 3 1 44 209.313 3

Activity (Go SEA)

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