UCSF

ZINC19511008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 1.84 1.76 -10.61 2 5 0 73 248.282 1
Hi High (pH 8-9.5) 1.84 2.37 -55.41 1 5 -1 76 247.274 1

Activity (Go SEA)

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