UCSF

ZINC34989647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.21 5.54 -39.79 3 4 1 62 278.372 5
Hi High (pH 8-9.5) 3.21 4.58 -52.62 1 4 -1 64 276.356 5
Mid Mid (pH 6-8) 3.21 6.55 -52.91 2 4 0 65 277.364 5
Mid Mid (pH 6-8) 3.21 3.57 -8.94 2 4 0 61 277.364 5

Activity (Go SEA)

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