UCSF

ZINC71150261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 19 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) 0.20 2.41 -99.38 3 6 2 63 269.393 6
Hi High (pH 8-9.5) 0.20 1.07 -43 2 6 1 59 268.385 6

Activity (Go SEA)

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