UCSF

ZINC13553787

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 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) 2.74 7.72 -8.95 1 6 0 73 276.34 6
Mid Mid (pH 6-8) 2.74 8.18 -39.47 2 6 1 74 277.348 6

Activity (Go SEA)

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