UCSF

ZINC02497081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 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) 3.91 10.97 -8.43 0 3 0 27 278.783 8
Mid Mid (pH 6-8) 3.91 11.49 -34.21 1 3 1 28 279.791 8

Activity (Go SEA)

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

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