UCSF

ZINC34602031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.28 8.65 -48.85 2 3 1 33 264.352 2
Mid Mid (pH 6-8) 2.28 6.41 -7.98 1 3 0 32 263.344 2

Activity (Go SEA)

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