UCSF

ZINC70003933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 19 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) -0.65 1.57 -10.3 1 6 0 62 266.345 3
Lo Low (pH 4.5-6) -0.65 3.29 -44.88 2 6 1 63 267.353 3

Activity (Go SEA)

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

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