UCSF

ZINC36238000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 3.78 11.34 -84.6 3 5 2 48 380.536 5
Mid Mid (pH 6-8) 3.78 11.37 -53.32 2 5 1 46 379.528 5

Activity (Go SEA)

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