UCSF

ZINC01447304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 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) 3.54 6.52 -40.14 0 4 -1 57 314.777 3
Ref Reference (pH 7) 4.04 6.9 -9.65 1 4 0 58 315.785 2
Hi High (pH 8-9.5) 4.49 4.6 -47.41 0 4 -1 61 314.777 2
Hi High (pH 8-9.5) 4.49 5 -44.24 0 4 -1 61 314.777 2
Lo Low (pH 4.5-6) 4.04 7.18 -48.22 2 4 1 59 316.793 2

Activity (Go SEA)

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