UCSF

ZINC04000060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 24 Yes

CAS Numbers: 522-66-7 , [1435-55-8]

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) 3.30 7.69 -38.18 2 4 1 47 327.448 4
Lo Low (pH 4.5-6) 3.30 8.13 -89.16 3 4 2 48 328.456 4

Activity (Go SEA)

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