UCSF

ZINC62029747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 1.77 4.25 -43.01 3 3 1 40 263.405 6
Mid Mid (pH 6-8) 1.77 5.59 -34.09 3 3 1 40 263.405 6
Mid Mid (pH 6-8) 1.77 6.04 -128.06 4 3 2 41 264.413 6

Activity (Go SEA)

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

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