UCSF

ZINC20046437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 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) 2.62 3.29 -41.96 3 3 1 46 199.318 3
Hi High (pH 8-9.5) 2.62 2.01 -8.41 2 3 0 41 198.31 3

Activity (Go SEA)

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