UCSF

ZINC04706570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 25 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) 1.12 1.63 -16.72 0 8 0 105 432.563 16
Hi High (pH 8-9.5) 1.12 0.67 -52.97 0 8 -1 105 431.555 16
Hi High (pH 8-9.5) 1.12 -0.28 -97.76 0 8 -2 105 430.547 16
Hi High (pH 8-9.5) 1.12 -1.24 -164.4 0 8 -3 105 429.539 16

Activity (Go SEA)

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