UCSF

ZINC36132103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 2.28 5.8 -10.77 0 6 0 51 354.406 3
Mid Mid (pH 6-8) 2.28 7.72 -45.87 1 6 1 52 355.414 3

Activity (Go SEA)

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