UCSF

ZINC37988372

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) 2.03 6.13 -44.27 2 2 1 29 255.313 4
Mid Mid (pH 6-8) 2.03 4.76 -6.23 1 2 0 25 254.305 4

Activity (Go SEA)

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