UCSF

ZINC24864470

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 29 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) 3.63 12.71 -53.89 2 6 1 61 391.495 9
Hi High (pH 8-9.5) 3.63 10.3 -17.72 1 6 0 59 390.487 9

Activity (Go SEA)

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