UCSF

ZINC36206540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 35 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) 3.50 7.26 -16.47 2 8 0 101 497.617 12
Mid Mid (pH 6-8) 3.50 9.46 -53.34 3 8 1 102 498.625 12

Activity (Go SEA)

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