UCSF

ZINC36146290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 3.51 7.92 -41.93 2 4 1 46 323.844 8
Hi High (pH 8-9.5) 3.51 5.64 -6.51 1 4 0 45 322.836 8

Activity (Go SEA)

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