UCSF

ZINC37988403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 2.21 7.05 -45.85 2 2 1 29 265.427 5
Mid Mid (pH 6-8) 2.21 5.69 -6.19 1 2 0 25 264.419 5

Activity (Go SEA)

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