UCSF

ZINC70310616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) -0.24 5.26 -47.94 1 6 -1 90 267.305 6
Lo Low (pH 4.5-6) -0.24 3.29 -15.12 2 6 0 87 268.313 6

Activity (Go SEA)

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

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