UCSF

ZINC20310624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 2.35 7.96 -77.87 2 6 0 85 366.417 6
Hi High (pH 8-9.5) 2.35 8.99 -133.21 1 6 -1 88 365.409 6
Hi High (pH 8-9.5) 2.35 6.46 -133.11 0 6 -2 87 364.401 6

Activity (Go SEA)

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