UCSF

ZINC36137063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.44 6.84 -15.92 1 6 0 85 372.446 7
Hi High (pH 8-9.5) 3.44 7.01 -50.93 0 6 -1 87 371.438 7

Activity (Go SEA)

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

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