UCSF

ZINC08738636

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 5.89 0.24 -12.3 1 5 0 56 398.462 4
Mid Mid (pH 6-8) 5.89 0.44 -34.28 2 5 1 57 399.47 4

Activity (Go SEA)

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