UCSF

ZINC54765278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 14 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) -0.90 0.81 -38.13 3 7 0 98 193.214 4
Mid Mid (pH 6-8) -0.90 -0.45 -43.9 2 7 -1 93 192.206 4
Mid Mid (pH 6-8) -0.90 1.28 -86.91 4 7 1 99 194.222 4
Mid Mid (pH 6-8) -0.90 0.04 -52.05 3 7 0 95 193.214 4

Activity (Go SEA)

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

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