UCSF

ZINC06238897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 3.79 10.29 -63.06 0 5 -1 70 400.454 7
Mid Mid (pH 6-8) 4.24 -1.09 -24.38 1 5 0 66 401.462 6
Mid Mid (pH 6-8) 3.21 0.4 -11.43 0 5 0 63 401.462 7

Activity (Go SEA)

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