UCSF

ZINC33411733

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 20 Yes

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) 4.67 4.63 -28.27 0 4 -1 61 415.503 3
Lo Low (pH 4.5-6) 4.67 4.56 -9.67 1 4 0 59 416.511 3

Activity (Go SEA)

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