UCSF

ZINC33360190

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 27 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) 5.49 4.9 -16.53 3 4 0 70 358.393 3
Hi High (pH 8-9.5) 5.49 5.68 -55.32 2 4 -1 73 357.385 3

Activity (Go SEA)

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