UCSF

ZINC07256267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2006 21 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) 2.48 5 -12.58 2 4 0 65 278.311 4
Lo Low (pH 4.5-6) 2.48 5.28 -40.22 3 4 1 66 279.319 4

Activity (Go SEA)

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