UCSF

ZINC16729110

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) 3.12 7.4 -61.19 0 7 -1 82 467.517 8
Mid Mid (pH 6-8) 3.57 8.66 -60.89 2 7 1 81 469.533 7
Mid Mid (pH 6-8) 2.54 9.64 -63.08 1 7 1 77 469.533 8
Mid Mid (pH 6-8) 3.12 9.74 -75.74 1 7 0 83 468.525 8

Activity (Go SEA)

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