UCSF

ZINC21212728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) 3.29 10.43 -52.16 2 6 1 61 393.511 9
Hi High (pH 8-9.5) 3.29 8.23 -16.21 1 6 0 59 392.503 9

Activity (Go SEA)

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