UCSF

ZINC07275303

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 26 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) 3.22 1.37 -47.2 2 7 -1 103 371.394 5
Hi High (pH 8-9.5) 4.17 -0.55 -54.84 2 7 -1 107 371.394 4
Lo Low (pH 4.5-6) 3.22 2.18 -15.85 3 7 0 101 372.402 5

Activity (Go SEA)

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