UCSF

ZINC58343210

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 26 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) 0.84 6.17 -78.41 0 8 -1 99 372.43 5
Lo Low (pH 4.5-6) 0.84 6.1 -37.33 1 8 0 97 373.438 5

Activity (Go SEA)

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

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