UCSF

ZINC16736914

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 3.04 9.12 -58.72 0 7 -1 82 461.538 9
Mid Mid (pH 6-8) 3.04 10.44 -57.07 2 7 1 81 463.554 8
Mid Mid (pH 6-8) 2.45 11.42 -60.64 1 7 1 77 463.554 9
Mid Mid (pH 6-8) 3.04 11.52 -71.5 1 7 0 83 462.546 9

Activity (Go SEA)

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