UCSF

ZINC49750705

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 3.03 11 -60.77 2 5 1 67 364.469 7
Mid Mid (pH 6-8) 3.03 8.74 -14.21 1 5 0 65 363.461 7

Activity (Go SEA)

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