UCSF

ZINC13679111

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 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) 4.02 4.51 -21.26 3 9 0 131 503.602 8
Hi High (pH 8-9.5) 4.02 4.61 -51.75 2 9 -1 133 502.594 8
Hi High (pH 8-9.5) 4.02 4.61 -44.08 2 9 -1 133 502.594 8
Hi High (pH 8-9.5) 4.02 4.7 -96.12 1 9 -2 135 501.586 8

Activity (Go SEA)

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

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