UCSF

ZINC34683831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 5.23 10.71 -52.54 1 6 1 60 492.042 6
Mid Mid (pH 6-8) 5.23 8.46 -12.67 0 6 0 59 491.034 6

Activity (Go SEA)

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