UCSF

ZINC37988434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 2.23 5.87 -52.32 2 4 1 48 313.83 6
Mid Mid (pH 6-8) 2.23 4.5 -8.48 1 4 0 43 312.822 6

Activity (Go SEA)

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