UCSF

ZINC35121812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 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) 1.19 5.16 -47.76 3 5 1 55 276.36 4
Hi High (pH 8-9.5) 1.38 1.75 -39.01 2 5 0 61 275.352 4

Activity (Go SEA)

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