UCSF

ZINC34866300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 5.47 11.39 -46.06 2 3 1 34 479.252 6
Mid Mid (pH 6-8) 5.47 9.18 -4.79 1 3 0 32 478.244 6

Activity (Go SEA)

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