UCSF

ZINC21538260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 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) 4.67 14.12 -7.39 0 5 0 39 438.575 6
Mid Mid (pH 6-8) 2.20 15.88 -15.1 1 5 0 49 438.575 6
Mid Mid (pH 6-8) 2.20 18.21 -63.72 2 5 1 50 439.583 6
Mid Mid (pH 6-8) 4.67 16.45 -47.48 1 5 1 40 439.583 6
Mid Mid (pH 6-8) 2.20 13.7 -34.01 2 5 1 50 439.583 6

Activity (Go SEA)

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

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