UCSF

ZINC05457876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 18 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) 2.47 3.81 -11.59 1 4 0 62 264.281 1
Hi High (pH 8-9.5) 2.93 1.65 -43.45 0 4 -1 65 263.273 1
Hi High (pH 8-9.5) 2.93 2.21 -50.33 0 4 -1 65 263.273 1

Activity (Go SEA)

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