UCSF

ZINC35991604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 31 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) 3.83 9.85 -9.83 1 8 0 88 429.517 9
Mid Mid (pH 6-8) 3.83 11.75 -39.98 2 8 1 89 430.525 9

Activity (Go SEA)

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