UCSF

ZINC05189183

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 31 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) 4.21 5.84 -9.18 3 7 0 106 416.481 7
Ref Reference (pH 7) 4.21 6.43 -9.41 3 7 0 106 416.481 7
Lo Low (pH 4.5-6) 4.22 6.74 -55.49 4 7 1 108 417.489 7

Activity (Go SEA)

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