UCSF

ZINC62947802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) -0.31 1.77 -67.12 1 8 -1 119 312.327 3
Lo Low (pH 4.5-6) -0.31 2.23 -68.77 2 8 0 121 313.335 3

Activity (Go SEA)

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

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