UCSF

ZINC04540802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 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) 2.92 -0.07 -11.83 1 6 0 79 381.428 6
Mid Mid (pH 6-8) 2.34 -0.24 -15.55 0 6 0 76 381.428 6

Activity (Go SEA)

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