UCSF

ZINC17179927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 3.47 8.62 -59.99 0 6 -1 79 414.865 7
Mid Mid (pH 6-8) 3.47 8.07 -11.97 1 6 0 76 415.873 7
Mid Mid (pH 6-8) 2.89 8.49 -13.5 0 6 0 73 415.873 7

Activity (Go SEA)

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