UCSF

ZINC62029845

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 17 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) -0.01 2.19 -32.81 3 4 1 43 242.387 7
Mid Mid (pH 6-8) -0.01 3.99 -98.7 4 4 2 44 243.395 7
Mid Mid (pH 6-8) -0.01 0.23 -42.91 3 4 1 43 242.387 7
Mid Mid (pH 6-8) -0.01 2.55 -103.81 4 4 2 45 243.395 7
Mid Mid (pH 6-8) -0.01 -0.59 -2.56 2 4 0 42 241.379 7
Mid Mid (pH 6-8) -0.01 1.57 -31.32 3 4 1 43 242.387 7

Activity (Go SEA)

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

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