UCSF

ZINC34681560

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 5.88 14.71 -47.25 2 5 1 50 483.558 7
Mid Mid (pH 6-8) 5.88 12.5 -12.48 1 5 0 48 482.55 7

Activity (Go SEA)

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