UCSF

ZINC35054722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 3.51 8.75 -118.1 3 3 2 30 320.811 7
Mid Mid (pH 6-8) 3.51 6.94 -40.07 2 3 1 29 319.803 7
Mid Mid (pH 6-8) 3.51 7.35 -33.54 2 3 1 26 319.803 7

Activity (Go SEA)

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