UCSF

ZINC53428554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 4.04 9.74 -112.94 3 2 2 21 254.462 7
Hi High (pH 8-9.5) 4.04 8.7 -31.04 2 2 1 16 253.454 7
Mid Mid (pH 6-8) 4.04 7.7 -35.1 2 2 1 20 253.454 7

Activity (Go SEA)

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

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