UCSF

ZINC16730024

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 No

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) 5.61 12.05 -16.74 1 8 0 98 533.621 14
Mid Mid (pH 6-8) 5.03 12.72 -24.53 0 8 0 95 533.621 14

Activity (Go SEA)

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