UCSF

ZINC05690765

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 7.24 14.59 -10.25 1 3 0 38 402.497 5
Mid Mid (pH 6-8) 7.24 14.99 -31.44 2 3 1 39 403.505 5

Activity (Go SEA)

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