UCSF

ZINC36156609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 3.64 8.75 -15.95 2 6 0 82 449.576 8
Mid Mid (pH 6-8) 3.64 11.38 -54.72 3 6 1 84 450.584 8

Activity (Go SEA)

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