UCSF

ZINC34983309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 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) 5.56 12.17 -21.08 2 6 0 84 437.908 5
Hi High (pH 8-9.5) 5.19 10.69 -55.15 1 6 -1 91 436.9 6

Activity (Go SEA)

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