UCSF

ZINC33758131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 4.01 10.39 -65.19 0 8 -1 101 478.521 11
Lo Low (pH 4.5-6) 4.01 9.43 -18.8 1 8 0 98 479.529 11

Activity (Go SEA)

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