UCSF

ZINC37326265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.20 2 -50.2 1 9 -1 140 298.256 4
Mid Mid (pH 6-8) 1.20 2.99 -97.6 0 9 -2 143 297.248 4
Lo Low (pH 4.5-6) 1.20 2.01 -14.9 2 9 0 138 299.264 4

Activity (Go SEA)

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

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