UCSF

ZINC67982038

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 24 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) 1.23 1.2 -19.14 2 8 0 93 333.392 6
Lo Low (pH 4.5-6) 1.23 3.48 -69.95 3 8 1 94 334.4 6

Activity (Go SEA)

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

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