UCSF

ZINC61321712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 16 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) 0.59 2.79 -33.04 2 5 1 65 216.268 3
Mid Mid (pH 6-8) 0.59 2.85 -32.25 2 5 1 65 216.268 3
Mid Mid (pH 6-8) 0.59 2.67 -11.71 1 5 0 64 215.26 3

Activity (Go SEA)

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

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