UCSF

ZINC49707151

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 1.76 4.12 -13.95 1 6 0 66 321.421 7
Mid Mid (pH 6-8) 1.76 6.18 -53.45 2 6 1 67 322.429 7

Activity (Go SEA)

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