UCSF

ZINC35221791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 2.29 4.56 -26.54 3 3 1 34 280.48 4
Hi High (pH 8-9.5) 2.29 6.95 -29.66 3 3 1 34 280.48 4
Hi High (pH 8-9.5) 2.30 7.05 -101.54 4 3 2 35 281.488 4
Mid Mid (pH 6-8) 2.29 7.42 -89.95 4 3 2 35 281.488 4
Mid Mid (pH 6-8) 2.30 4.68 -50.34 3 3 1 34 280.48 4

Activity (Go SEA)

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