UCSF

ZINC10518364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 28 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) 3.08 -7.51 -13.45 2 7 0 101 436.433 8
Hi High (pH 8-9.5) 3.08 -6.93 -39.13 1 7 -1 103 435.425 8

Activity (Go SEA)

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

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