UCSF

ZINC58316954

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 30 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) 3.30 6.17 -48.99 2 7 -1 106 422.486 6
Lo Low (pH 4.5-6) 3.30 6.13 -19.84 3 7 0 104 423.494 6

Activity (Go SEA)

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

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