UCSF

ZINC59818806

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 27 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) 2.34 4.03 -70.41 4 7 0 101 390.509 8
Mid Mid (pH 6-8) 1.61 4.13 -55.93 5 7 1 104 391.517 8

Activity (Go SEA)

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

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