UCSF

ZINC06420041

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 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) 3.44 9.5 -45.18 0 6 -1 83 402.426 7
Mid Mid (pH 6-8) 3.44 0.77 -15.28 1 6 0 79 403.434 7
Mid Mid (pH 6-8) 2.86 0.66 -24.74 0 6 0 76 403.434 7

Activity (Go SEA)

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