UCSF

ZINC36125681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 1.60 3.15 -9.03 1 6 0 69 314.455 4
Mid Mid (pH 6-8) 1.60 4.69 -45.91 2 6 1 70 315.463 4

Activity (Go SEA)

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