UCSF

ZINC20374151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 Yes

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) 2.06 7.57 -47.33 2 6 1 59 327.408 5
Mid Mid (pH 6-8) 2.06 5.1 -15.48 1 6 0 58 326.4 5

Activity (Go SEA)

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