UCSF

ZINC19820300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 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) 3.72 7.83 -18.38 1 8 0 90 453.52 7
Hi High (pH 8-9.5) 3.79 6.75 -57.82 0 8 -1 96 452.512 7

Activity (Go SEA)

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