UCSF

ZINC37871756

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.02 7.34 -40.36 2 3 1 34 252.288 5
Hi High (pH 8-9.5) 2.02 6.02 -7.47 1 3 0 30 251.28 5

Activity (Go SEA)

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