UCSF

ZINC43454343

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 4.09 8.09 -32.74 2 2 1 16 241.443 8
Mid Mid (pH 6-8) 4.09 7.34 -34.58 2 2 1 20 241.443 8
Mid Mid (pH 6-8) 4.09 9.27 -101.55 3 2 2 21 242.451 8

Activity (Go SEA)

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