UCSF

ZINC43413690

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

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) 0.91 4.24 -68.63 4 5 0 97 270.373 6
Hi High (pH 8-9.5) 0.91 4.43 -42.44 3 5 -1 95 269.365 6
Lo Low (pH 4.5-6) 0.91 2.27 -47.21 5 5 1 94 271.381 6

Activity (Go SEA)

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