UCSF

ZINC04149771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 4.35 12.78 -55.15 0 4 -1 60 400.429 6
Mid Mid (pH 6-8) 4.79 1 -28.36 1 4 0 57 401.437 5
Mid Mid (pH 6-8) 3.76 1.3 -22.69 0 4 0 54 401.437 6

Activity (Go SEA)

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