UCSF

ZINC34568986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 6.26 12.46 -11.92 0 4 0 36 378.431 3
Mid Mid (pH 6-8) 6.26 12.94 -29.73 1 4 1 38 379.439 3

Activity (Go SEA)

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