UCSF

ZINC08820971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 28 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) 6.13 9.8 -18.86 2 5 0 75 431.3 4
Mid Mid (pH 6-8) 6.13 9.32 -45.05 1 5 -1 77 430.292 4

Activity (Go SEA)

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