UCSF

ZINC20376752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 14 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) 0.27 4.75 -106.45 3 4 1 61 199.274 4
Mid Mid (pH 6-8) 0.27 3.47 -65.12 2 4 0 57 198.266 4

Activity (Go SEA)

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