UCSF

ZINC01122314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 24 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) 1.97 -3 -52.96 1 9 -1 141 351.316 7
Hi High (pH 8-9.5) 1.97 -2.42 -86.69 0 9 -2 143 350.308 7

Activity (Go SEA)

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