UCSF

ZINC16741344

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 29 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) 3.89 9.32 -12.86 1 5 0 67 393.414 8
Mid Mid (pH 6-8) 3.30 10.02 -18.92 0 5 0 64 393.414 8

Activity (Go SEA)

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