UCSF

ZINC36199363

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -1.95 3.19 -94.08 4 6 2 73 260.382 8
Hi High (pH 8-9.5) -1.95 1.27 -52.15 3 6 1 71 259.374 8

Activity (Go SEA)

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