UCSF

ZINC37820027

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -1.31 -4.66 -49.1 6 8 1 137 307.396 6
Hi High (pH 8-9.5) -1.31 -5.01 -19.17 5 8 0 136 306.388 6

Activity (Go SEA)

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