UCSF

ZINC13728049

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 2.72 10.16 -78.26 1 7 0 83 424.497 9
Mid Mid (pH 6-8) 3.17 8.81 -57.78 2 7 1 81 425.505 8
Mid Mid (pH 6-8) 2.14 10 -58.57 1 7 1 77 425.505 9

Activity (Go SEA)

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