UCSF

ZINC16700988

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 4.95 11.93 -42.72 0 6 -1 79 450.555 11
Mid Mid (pH 6-8) 5.40 10.43 -26.85 1 6 0 76 451.563 10
Mid Mid (pH 6-8) 4.37 11.41 -20.3 0 6 0 73 451.563 11

Activity (Go SEA)

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