UCSF

ZINC00853830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 27 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) 5.34 11.65 -14.6 0 4 0 56 365.473 4
Mid Mid (pH 6-8) 5.34 12.04 -19.1 0 4 0 56 365.473 4
Mid Mid (pH 6-8) 5.52 12.3 -16.37 0 4 0 56 365.473 4
Mid Mid (pH 6-8) 5.52 11.86 -16.1 0 4 0 56 365.473 4

Activity (Go SEA)

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