UCSF

ZINC45789087

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 34 No

CAS Number: 4373-41-5

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) 5.81 9.48 -54.02 2 4 -1 81 471.702 1
Lo Low (pH 4.5-6) 5.81 7.53 -7.82 3 4 0 78 472.71 1

Activity (Go SEA)

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

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