UCSF

ZINC49236800

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 16 No

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) -1.45 2.75 -11.55 1 7 0 90 222.204 3
Mid Mid (pH 6-8) -1.45 3.26 -35.53 2 7 1 91 223.212 3
Mid Mid (pH 6-8) -0.99 0.5 -38.57 1 7 0 94 222.204 3
Mid Mid (pH 6-8) -0.99 -0 -42.29 0 7 -1 93 221.196 3

Activity (Go SEA)

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

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