UCSF

ZINC19939024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 4.05 11.84 -67.09 2 5 1 53 477.938 6
Hi High (pH 8-9.5) 4.05 10.44 -13.93 1 5 0 48 476.93 6

Activity (Go SEA)

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