UCSF

ZINC35433204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 3.10 9.05 -59.71 0 5 -1 61 260.317 6
Mid Mid (pH 6-8) 3.10 9.92 -64.54 2 5 1 63 262.333 6
Mid Mid (pH 6-8) 3.10 9.44 -33.94 1 5 0 62 261.325 6
Mid Mid (pH 6-8) 3.10 9.51 -45.68 1 5 0 62 261.325 6

Activity (Go SEA)

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