UCSF

ZINC50664398

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 30 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) 0.57 6.6 -13.5 3 9 0 115 407.43 6
Lo Low (pH 4.5-6) 0.57 7.37 -29.72 4 9 1 116 408.438 6

Activity (Go SEA)

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