UCSF

ZINC36156916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.21 7.57 -14.48 2 6 0 78 439.581 10
Mid Mid (pH 6-8) 3.21 9.7 -54.45 3 6 1 80 440.589 10

Activity (Go SEA)

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