UCSF

ZINC36444158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 26 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) 4.32 10.38 -283.1 0 8 -4 145 414.372 19
Mid Mid (pH 6-8) 4.32 9.22 -183.41 1 8 -3 142 415.38 19
Lo Low (pH 4.5-6) 4.32 8.06 -88.8 2 8 -2 139 416.388 19

Activity (Go SEA)

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