UCSF

ZINC06557261

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 25 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) 1.51 5.04 -18.89 2 7 0 93 336.351 4
Hi High (pH 8-9.5) 2.42 3.63 -53.46 1 7 -1 99 335.343 4
Hi High (pH 8-9.5) 2.42 2.7 -49.05 1 7 -1 99 335.343 4

Activity (Go SEA)

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