UCSF

ZINC34865967

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 4.98 11.14 -45.85 2 3 1 34 369.932 6
Mid Mid (pH 6-8) 4.98 8.94 -8.59 1 3 0 32 368.924 6

Activity (Go SEA)

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