UCSF

ZINC04113472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 32 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) 6.57 7.76 -51.39 2 7 -1 106 446.87 5
Hi High (pH 8-9.5) 6.57 8.53 -95.82 1 7 -2 109 445.862 5
Hi High (pH 8-9.5) 6.57 7.28 -104.99 1 7 -2 109 445.862 5
Mid Mid (pH 6-8) 6.57 6.75 -13.74 3 7 0 104 447.878 5
Mid Mid (pH 6-8) 6.57 5.5 -12.31 3 7 0 104 447.878 5

Activity (Go SEA)

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