UCSF

ZINC45647263

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.41 2.86 -46.21 5 4 1 77 275.372 5
Mid Mid (pH 6-8) 1.41 2.53 -9.19 4 4 0 75 274.364 5

Activity (Go SEA)

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