UCSF

ZINC37046413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 2.07 4.27 -45.9 4 3 1 57 253.341 4
Hi High (pH 8-9.5) 2.07 3.94 -7.13 3 3 0 55 252.333 4

Activity (Go SEA)

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