UCSF

ZINC33121146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 3.66 8.14 -52.98 3 7 1 86 485.674 6
Hi High (pH 8-9.5) 3.66 6.73 -14.47 2 7 0 82 484.666 6
Hi High (pH 8-9.5) 3.66 8.22 -70.12 2 7 0 88 484.666 6

Activity (Go SEA)

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