UCSF

ZINC41352581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 19 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) 2.04 8.43 -88.79 2 3 2 12 263.429 6
Mid Mid (pH 6-8) 2.04 6.15 -36.81 1 3 1 11 262.421 6

Activity (Go SEA)

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