UCSF

ZINC33767639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.81 10.37 -49.43 0 9 -1 122 490.517 9
Lo Low (pH 4.5-6) 2.81 9.08 -20.29 1 9 0 119 491.525 9

Activity (Go SEA)

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