UCSF

ZINC08868916

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 32 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) 4.64 -0.48 -20.1 1 9 0 119 479.857 11
Mid Mid (pH 6-8) 4.47 8.85 -13.73 1 6 0 76 436.599 6

Activity (Go SEA)

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