UCSF

ZINC36208021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 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) 3.15 6.93 -20.18 2 8 0 105 483.59 10
Mid Mid (pH 6-8) 3.15 9.39 -53.82 3 8 1 106 484.598 10

Activity (Go SEA)

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