UCSF

ZINC53132278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 Yes

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) 3.78 9.13 -44.81 2 2 1 29 275.803 6
Hi High (pH 8-9.5) 3.78 8.11 -4.31 1 2 0 25 274.795 6
Lo Low (pH 4.5-6) 3.78 9.6 -106.57 3 2 2 31 276.811 6

Activity (Go SEA)

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