UCSF

ZINC37930336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 15 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) 2.33 4.33 -49.42 3 4 -1 78 207.253 5

Activity (Go SEA)

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