UCSF

ZINC50664395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 26 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) 2.00 8.44 -11.4 3 6 0 87 386.242 3
Lo Low (pH 4.5-6) 2.00 8.11 -25.73 4 6 1 89 387.25 3

Activity (Go SEA)

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