UCSF

ZINC42477247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) -2.17 -4.91 -59.67 7 8 1 146 315.375 7
Hi High (pH 8-9.5) -1.99 -6.18 -63.5 6 8 0 152 314.367 7
Hi High (pH 8-9.5) -2.17 -5.29 -15.51 6 8 0 144 314.367 7

Activity (Go SEA)

Rings

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