UCSF

ZINC04230126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 26 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) 3.97 5.39 -10.56 3 6 0 91 367.792 4
Hi High (pH 8-9.5) 3.97 6.16 -51.25 2 6 -1 94 366.784 4
Lo Low (pH 4.5-6) 3.97 5.63 -35.92 4 6 1 92 368.8 4

Activity (Go SEA)

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