UCSF

ZINC20485505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 13 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) 3.05 6.17 -36.53 1 2 1 17 186.319 8
Hi High (pH 8-9.5) 3.05 3.86 -3.56 0 2 0 16 185.311 8

Activity (Go SEA)

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