UCSF

ZINC33578433

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 30 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) 2.77 4.86 -15.12 3 7 0 98 408.502 6
Mid Mid (pH 6-8) 2.77 5.32 -40.26 4 7 1 100 409.51 6

Activity (Go SEA)

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