UCSF

ZINC43413715

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) 1.23 4.43 -73.46 4 5 0 97 270.373 7
Hi High (pH 8-9.5) 1.23 4.14 -51.21 3 5 -1 95 269.365 7
Lo Low (pH 4.5-6) 1.23 2.44 -46.12 5 5 1 94 271.381 7

Activity (Go SEA)

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