UCSF

ZINC36204973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.00 4.08 -14.12 2 7 0 88 409.552 10
Mid Mid (pH 6-8) 2.00 6.24 -51.87 3 7 1 89 410.56 10

Activity (Go SEA)

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