UCSF

ZINC37054501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.10 1.68 -6.5 2 5 0 67 413.135 2
Mid Mid (pH 6-8) 2.10 4.06 -44.11 3 5 1 68 414.143 2

Activity (Go SEA)

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