UCSF

ZINC20309583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 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) 2.01 6.49 -78.35 2 10 0 122 486.521 10
Hi High (pH 8-9.5) 2.01 7.51 -135.72 1 10 -1 125 485.513 10
Hi High (pH 8-9.5) 2.01 4.98 -133.01 0 10 -2 124 484.505 10

Activity (Go SEA)

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