UCSF

ZINC35819123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) -0.32 4.27 -49.88 2 9 1 92 407.539 11
Mid Mid (pH 6-8) -0.32 6.52 -91.33 3 9 2 93 408.547 11

Activity (Go SEA)

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