UCSF

ZINC08756364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 5.76 12.8 -18.36 1 5 0 56 439.987 9
Mid Mid (pH 6-8) 5.76 13.23 -40.25 2 5 1 57 440.995 9

Activity (Go SEA)

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