UCSF

ZINC16741360

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 5.85 12.34 -10.19 1 5 0 67 433.548 9
Mid Mid (pH 6-8) 5.26 13.14 -16.98 0 5 0 64 433.548 9

Activity (Go SEA)

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