UCSF

ZINC33763629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.42 11.85 -50.49 0 8 -1 113 476.534 8
Lo Low (pH 4.5-6) 3.42 10.56 -19.68 1 8 0 110 477.542 8

Activity (Go SEA)

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