UCSF

ZINC37436837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 17 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) -2.23 4.4 -75.69 1 6 -1 90 241.267 4

Activity (Go SEA)

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