UCSF

ZINC36331145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 43 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) 4.28 9.76 -55.66 4 10 1 145 597.729 7
Mid Mid (pH 6-8) 4.28 9.46 -9.69 3 10 0 143 596.721 7
Lo Low (pH 4.5-6) 4.28 10.22 -106.72 5 10 2 146 598.737 7

Activity (Go SEA)

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