UCSF

ZINC36102774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 3.94 9.51 -34.47 2 3 1 34 314.449 9
Hi High (pH 8-9.5) 3.94 7.39 -5.2 1 3 0 33 313.441 9

Activity (Go SEA)

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