UCSF

ZINC44647976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 1.45 6.1 -80.83 4 5 2 63 278.4 6
Hi High (pH 8-9.5) 1.45 4.43 -8.75 2 5 0 57 276.384 6
Mid Mid (pH 6-8) 1.45 5.77 -43.58 3 5 1 62 277.392 6

Activity (Go SEA)

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