UCSF

ZINC12403166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 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 8.45 -17.4 2 8 0 118 432.432 8
Hi High (pH 8-9.5) 5.34 9.43 -67.52 1 8 -1 121 431.424 8
Lo Low (pH 4.5-6) 5.34 8.74 -64.78 3 8 1 119 433.44 8

Activity (Go SEA)

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