UCSF

ZINC49932606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 15 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) 0.98 6.8 -47.27 1 4 1 49 212.317 6
Mid Mid (pH 6-8) 0.98 4.83 -9.42 0 4 0 47 211.309 6

Activity (Go SEA)

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