UCSF

ZINC13684927

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 20 No

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) 4.83 8.88 -9.04 2 2 0 26 302.365 4
Ref Reference (pH 7) 4.15 8.74 -10.69 2 2 0 24 302.365 5
Hi High (pH 8-9.5) 4.83 8.35 -35.58 1 2 -1 24 301.357 4

Activity (Go SEA)

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

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