UCSF

ZINC87493246

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 18 Yes

Other Names:

MFCD07374389

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) 1.37 8.64 -53.53 1 5 0 71 257.33 6
Hi High (pH 8-9.5) 1.37 6.41 -48.68 0 5 -1 70 256.322 6

Activity (Go SEA)

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

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