UCSF

ZINC38236336

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 20 Yes

Other Names:

N/A

Download: MOL2 SDF SMILES Flexibase

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) -0.23 6.93 -98.04 0 5 -2 85 279.198 2
Mid Mid (pH 6-8) -0.23 4.91 -34.43 1 5 -1 82 280.206 2

Activity (Go SEA)

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