UCSF

ZINC62226795

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2011 22 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) 2.41 6.84 -9.42 0 4 0 33 304.434 6
Mid Mid (pH 6-8) 2.41 9.04 -36.21 1 4 1 34 305.442 6

Activity (Go SEA)

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