UCSF

ZINC32124514

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 2.32 7.55 -8.67 2 5 0 66 253.309 5
Hi High (pH 8-9.5) 2.05 6.85 -31.5 0 5 -1 64 252.301 5
Lo Low (pH 4.5-6) 2.05 8.13 -55.96 2 5 1 63 254.317 5

Activity (Go SEA)

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

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