UCSF

ZINC02646855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 27 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) 3.41 8.01 -18.73 2 6 0 80 406.87 8
Hi High (pH 8-9.5) 3.41 7.85 -44.05 1 6 -1 78 405.862 8

Activity (Go SEA)

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