UCSF

ZINC33436029

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 28 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) 3.22 11.39 -53.85 2 5 1 54 386.56 7
Hi High (pH 8-9.5) 3.22 8.99 -18.04 1 5 0 53 385.552 7

Activity (Go SEA)

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