UCSF

ZINC19798344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 10 No

CAS Number: 34782-06-4

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) 0.52 2.07 -38.23 2 2 1 20 163.672 3
Hi High (pH 8-9.5) 0.52 0.71 -2.45 1 2 0 15 162.664 3

Activity (Go SEA)

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