UCSF

ZINC16734143

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 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) 4.70 10.17 -55.38 0 7 -1 82 512.026 11
Mid Mid (pH 6-8) 5.14 11.42 -62.04 2 7 1 81 514.042 10
Mid Mid (pH 6-8) 4.11 12.42 -63.25 1 7 1 77 514.042 11
Mid Mid (pH 6-8) 4.70 12.5 -74.3 1 7 0 83 513.034 11

Activity (Go SEA)

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