UCSF

ZINC36102617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

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) 5.18 11.54 -51.73 2 3 1 34 418.891 9
Hi High (pH 8-9.5) 5.18 8.76 -9.13 1 3 0 33 417.883 9

Activity (Go SEA)

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