UCSF

ZINC33587885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 33 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) 2.16 9.67 -30.34 0 10 -1 149 463.451 6
Lo Low (pH 4.5-6) 2.16 8.54 -24.43 1 10 0 146 464.459 6

Activity (Go SEA)

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