UCSF

ZINC69100612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) -0.32 0.19 -59.54 4 6 1 97 304.436 7
Hi High (pH 8-9.5) -0.32 -1.01 -16.59 3 6 0 93 303.428 7
Lo Low (pH 4.5-6) -0.32 -0.71 -54.89 4 6 1 94 304.436 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.