UCSF

ZINC08817638

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 No

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) 3.67 11.08 -78.93 1 7 0 83 452.551 11
Mid Mid (pH 6-8) 3.09 1.36 -47.05 1 7 1 77 453.559 11

Activity (Go SEA)

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