UCSF

ZINC03650619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 2.06 8.45 -118.88 0 4 -2 80 318.066 4
Mid Mid (pH 6-8) 2.06 6.38 -39 1 4 -1 77 319.074 4

Activity (Go SEA)

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